Hypoglycin A
Also known as 2-amino-3-(2-methylidenecyclopropyl)propanoic acid, (S)-Hypoglycine A, 85%, (S)-Hypoglycine A
Key facts
What buyers check first
- CAS number
- 156-56-9
- Formula
- C7H11NO2
- Appearance
- Yellow plates from methanol + water
- Melting point
- 280 to 284
- HS code
- 292249
- Category
- Amino acids and derivatives
What is Hypoglycin A?
Plain description, key identifiers and synonyms
Hypoglycin A is a diastereoisomeric mixture of (2S,4R)- and (2S,4S)- hypoglycin A, found in the edible part of the fruit of the Ackee, Blighia sapida (where the 2S,4R diastereoisomer is more dominant (17% d.e.) than its 2S,4S counterpart) as well as in the sycamore maple tree (Acer pseudoplatanus). It has a role as a phytotoxin. It contains a (2S,4R)-hypoglycin A and a (2S,4S)-hypoglycin A.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2S)-2-amino-3-(2-methylidenecyclopropyl)propanoic acid
- CAS number
- 156-56-9Other or deprecated CAS: 1263274-08-3
- EC number
- 663-646-8
- Molecular formula
- C7H11NO2
- InChIKey
- OOJZCXFXPZGUBJ-GDVGLLTNSA-N
- InChI
- InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5?,6-/m0/s1
- Canonical SMILES
- C=C1CC1CC(N)C(=O)O
- Isomeric SMILES
- C=C1CC1C[C@@H](C(=O)O)N
Synonyms
- 2-amino-3-(2-methylidenecyclopropyl)propanoic acid
- (S)-Hypoglycine A, 85%
- (S)-Hypoglycine A
- (2S,4RS)-Hypoglycin A
- (2S)-2-amino-3-(2-methylenecyclopropyl)propanoic acid
- 3-(Methylencyclopropyl)-L-alanin
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
| Appearance | Yellow plates from methanol + waterexp.Measured value |
|---|---|
| Melting point | 280 to 284exp.Measured value |
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 | 141.17 g/molcalc.Computed value |
|---|---|
| Exact mass | 141.079 Dacalc.Computed value |
| LogP (octanol/water) | 0.36calc.Computed value |
| Topological polar surface area | 63.32 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 10calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.57calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.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
C=C1CC1
1 ring, 4 atoms, the Methylenecyclopropane ring system.
205 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H301Toxic if swallowed.
Precautionary statements (7)
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- 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 aidHypoglycin A suppliers
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Hypoglycin A price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Roles
- eukaryotic metabolite
- metabolite
- phytotoxin
- plant metabolite
- poison
- toxin
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 Hypoglycin A is traded under.
Amino-acids, other than those containing more than one kind of oxygen function, and…
- United States13.4%
- Germany11.1%
- Japan6.6%
* Partner reported figures, a lower bound.
The HS code shown for Hypoglycin A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about Hypoglycin A, based on the data on this page
What is Hypoglycin A?
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What is the molecular formula and weight of Hypoglycin A?
What is Hypoglycin A used for?
Is Hypoglycin A hazardous?
What is the HS code of Hypoglycin A?
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What is the price of Hypoglycin A?
Guides for buyers
Practical guides that help when you source, ship or handle Hypoglycin A
- 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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