HT 2 toxin
Also known as HT-2 Toxin, Toxin HT 2, 12,13-Epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol 15-acetate 8-isovalerate
Key facts
What buyers check first
- CAS number
- 26934-87-2
- Formula
- C22H32O8
- Molar mass
- 424.49 g/mol
- EC number
- 621-720-7
- HS code
- 293299
- Category
- Heterocyclic compounds
What is HT 2 toxin?
Plain description, key identifiers and synonyms
HT-2 toxin is a trichothecene mycotoxin that is T-2 toxin in which the acetyloxy group at position 4S has been hydrolysed to the corresponding hydroxy group. It is the major metabolite of T-2 toxin. It has a role as an apoptosis inducer and a fungal metabolite. It is an organic heterotetracyclic compound, an acetate ester and a trichothecene.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- [(1S,2R,4S,7R,9R,10R,11S,12S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
- CAS number
- 26934-87-2 CAS number cross-checked
- EC number
- 621-720-7
- Molecular formula
- C22H32O8
- UNII
- NC6C26RM46
- InChIKey
- PNKLMTPXERFKEN-MLXHEQMXSA-N
- InChI
- InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1
- Canonical SMILES
- CC(=O)OCC12CC(OC(=O)CC(C)C)C(C)=CC1OC1C(O)C(O)C2(C)C12CO2
- Isomeric SMILES
- CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C
Synonyms
- HT-2 Toxin
- Toxin HT 2
- 12,13-Epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol 15-acetate 8-isovalerate
- [(1S,2R,4S,7R,9R,10R,11S,12S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
- 3,4-dihydroxy-15-acetoxy-8-(3-methylbutyryloxy)-12,13-epoxy-delta9-trichothecene
- 15-Acetoxy-3,4-dihydroxy-8-(3-methylbutyryloxy)-12,13-epoxy delta9-trichothecene
- Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 15-acetate, 8-isovalerate
- Trichothec-9-ene-3alpha,4beta,8alpha,15-tetrol, 12,13-epoxy-, 15-acetate 8-isovalerate
- Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15 acetate 8-(3-methylbutanoate), (3alpha,4abeta,8alpha)-
- Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-
- ((1S,2R,4S,7R,9R,10R,11S,12S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-4-yl) 3-methylbutanoate
- 15-acetoxy-3,4-dihydroxy-8-(3-methylbutyryloxy)-12,13-epoxy delta 9-trichothecene
- ((1S,2R,4S,7R,9R,10R,11S,12R)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-4-yl) 3-methylbutanoate
- 2'-((acetyloxy)methyl)-10',11'-dihydroxy-1',5'-dimethyl-8'-oxaspiro(oxirane-2,12'-tricyclo(7.2.1.02,7)dodecan)-5'-en-4'-yl 3-methylbutanoate
- (2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-4-yl) 3-methylbutanoate
- Mycotoxin HT 2
- valerate, Toxin HT 2, Mycotoxin HT 2
- mycotoxin HT-2
- 15-(acetyloxy)-3alpha,4beta-dihydroxy-12,13-epoxytrichothec-9-en-8alpha-yl 3-methylbutanoate
- HT 2
- Ht-2 Toxin, From Fusarium Sp.
- HT-2 Toxin in Acetonitrile, 100ug/mL
- 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol 15-acetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 424.49 g/molcalc.Computed value |
|---|---|
| Exact mass | 424.2097 Dacalc.Computed value |
| LogP (octanol/water) | 1.12calc.Computed value |
| Topological polar surface area | 114.8 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 8calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 30calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.82calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 8calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H300Fatal if swallowed.
- H310Fatal in contact with skin.
- H315Causes skin irritation.
- H319Causes serious eye irritation.
- H330Fatal if inhaled.
- H335May cause respiratory irritation.
Precautionary statements (25)
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P262Do not get in eyes, on skin, or on clothing.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P284In case of inadequate ventilation wear respiratory protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P316Get emergency medical help immediately.
- P319Get medical help if you feel unwell.
- P320Specific treatment is urgent (see supplemental first aid instructions on the label).
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidHT 2 toxin suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United States, St. PaulUnclaimed profileHT 2 toxinGrade, purity and minimum order on requestPrice on request
- China, ChangzhouUnclaimed profileHT 2 toxinGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
2 suppliers in 2 countries
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HT 2 toxin price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Roles
- apoptosis inducer
- eukaryotic metabolite
- fungal metabolite
- metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code HT 2 toxin is traded under.
Heterocyclic compounds with oxygen hetero-atom(s) only, other
- China28.9%
- Switzerland * partner reported12.7%
- Germany7.8%
- United States49.7%
- China11.9%
- India * partner reported3.3%
* Partner reported figures, a lower bound.
The HS code shown for HT 2 toxin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about HT 2 toxin, based on the data on this page
What is HT 2 toxin?
What is the CAS number of HT 2 toxin?
What is the molecular formula and weight of HT 2 toxin?
What is HT 2 toxin used for?
Is HT 2 toxin hazardous?
What is the HS code of HT 2 toxin?
Where can I buy HT 2 toxin?
What is the price of HT 2 toxin?
Guides for buyers
Practical guides that help when you source, ship or handle HT 2 toxin
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
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