Datp
Also known as 2'-deoxyadenosine 5'-triphosphate, Deoxyadenosine triphosphate, deoxy-ATP
Key facts
What buyers check first
- CAS number
- 1927-31-7
- Formula
- C10H16N5O12P3
- Molar mass
- 491.18 g/mol
- EC number
- 217-662-3
- HS code
- 293499
- Category
- Impurities and reference standards
What is Datp?
Plain description, key identifiers and synonyms
DATP is a purine 2'-deoxyribonucleoside 5'-triphosphate having adenine as the nucleobase. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a 2'-deoxyadenosine 5'-phosphate and a purine 2'-deoxyribonucleoside 5'-triphosphate. It is a conjugate acid of a dATP(3-).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- CAS number
- 1927-31-7 CAS number cross-checkedOther or deprecated CAS: 111907-01-8, 67460-17-7
- EC number
- 217-662-3
- Molecular formula
- C10H16N5O12P3
- UNII
- K8KCC8SH6N
- MDL number
- MFCD00167019
- InChIKey
- SUYVUBYJARFZHO-RRKCRQDMSA-N
- InChI
- InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
- Canonical SMILES
- Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1
- Isomeric SMILES
- C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Synonyms
- 2'-deoxyadenosine 5'-triphosphate
- Deoxyadenosine triphosphate
- deoxy-ATP
- 2'-deoxyadenosine triphosphate
- Deoxyadenosine 5'-triphosphate
- 2'-Datp
- 2'-Deoxy-ATP
- [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- deoxyadenosine-triphosphate
- ({[({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
- dATP cpd
- (((((((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)phosphonic acid
- (((2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphate
- ((2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl)methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
- [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
- ((((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl)methyl phosphonato)oxy)(phosphonatooxy)phosphinate
- 2'-deoxyadenosine-5'-triphosphate
- 2'-Deoxy-5'-ATP
- (((2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
- 2'-Deoxyadenosine 5'-(tetrahydrogen triphosphate)
- Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-
- Adenosine, 2'-deoxy-, 5'-(tetrahydrogen triphosphate)
- Adenosine, 5'-(tetrahydrogen triphosphate), 2'-deoxy-
- [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
- 2'-Deoxyformycin-5'-triphosphate
Show all 35 synonymsShow fewer synonyms
- ATP,2'-deoxy
- Adenosine Impurity 48
- 1h7a
- 5'-DATP
- dATP - 100 mmol solution
- Deoxyadenosine 5-triphosphate
- 4-26-00-03593 (Beilstein Handbook Reference)
- deoxy[ 3h]adenosine 5'-triphosphate
- 2'-dATP? inverted exclamation marke2Na
- ((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
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 | 491.18 g/molcalc.Computed value |
|---|---|
| Exact mass | 491.0008 Dacalc.Computed value |
| LogP (octanol/water) | -0.6calc.Computed value |
| Topological polar surface area | 258.9 Ųcalc.Computed value |
| Hydrogen bond donors | 6calc.Computed value |
| Hydrogen bond acceptors | 12calc.Computed value |
| Rotatable bonds | 8calc.Computed value |
| Heavy atoms | 30calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.5calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 5calc.Computed value |
| Lipinski rule of five | Fails (2 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
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Datp suppliers
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- Price on request
- United States, HauppaugeUnclaimed profileDatpGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileDatpGrade, purity and minimum order on requestPrice on request
- Price on request
- China, HangzhouUnclaimed profileDatpGrade, purity and minimum order on requestPrice on request
- United States, Upper Saddle RiverUnclaimed profileDatpGrade, purity and minimum order on requestPrice on request
- China, HangzhouUnclaimed profileDatpGrade, 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
13 suppliers in 3 countries
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Datp 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
- Escherichia coli metabolite
- animal metabolite
- bacterial metabolite
- eukaryotic metabolite
- mammalian metabolite
- metabolite
- mouse metabolite
- prokaryotic 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 Datp is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Datp 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
Salt and hydrate forms
Records that share this compound as their parent
![Trisodium, [[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] hydrogen phosphate chemical structure, C10H13N5Na3O12P3](/s/id-175647806.svg)
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 Datp, based on the data on this page
What is Datp?
What is the CAS number of Datp?
What is the molecular formula and weight of Datp?
What is Datp used for?
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What is the HS code of Datp?
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What is the price of Datp?
Guides for buyers
Practical guides that help when you source, ship or handle Datp
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.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
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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