Basic information
- CAS
54262-83-8- Standard SMILES
Nc1ncnc2c1ncn2C[C@H](O)CO- InChIKey
GSLQFBVNOFBPRJ-YFKPBYRVSA-N- Molecular formula
- C8H11N5O2
- Average molar mass
- 209.21 g/mol
- Monoisotopic mass
- 209.09127461
Names & identifiers
- Preferred name
- (S)-9-(2,3-dihydroxypropyl)adenine
- IUPAC
- (2S)-3-(6-aminopurin-9-yl)propane-1,2-diol
- English name
- 9-[(2S)-2,3-Dihydroxypropyl]-9H-purine-6-amine
- Molecular formula
- C8H11N5O2
- Molecular weight
- 209.21
Names & synonyms
(S)-9-(2,3-Dihydroxypropyl)adenine54262-83-8RefChem:9064639-(2,3-dihydroxypropyl)adenine, (S)-(S)-DHPA(2S)-3-(6-aminopurin-9-yl)propane-1,2-diol(2s)-3-(6-amino-9h-purin-9-yl)propane-1,2-diol(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diolS-Dihydroxypropyladenine9-D-(2,3-Dihydroxypropyl)adenine9-(S)-(2,3-Dihydroxypropyl)adenineBRN 0990757
Show more names
9-[(S)-2,3-Dihydroxypropyl]adenine1-Deoxy-1-(6-amino-9H-purine-9-yl)-D-glycerol9-[(2S)-2,3-Dihydroxypropyl]-9H-purine-6-amine(S)-3-(6-Amino-9H-purine-9-yl)propane-1,2-diol
(S)-3-(6-Amino-9H-purin-9-yl)-1,2-propanediol1,2-Propanediol, 3-(6-amino-9H-purin-9-yl)-, (S)-DHPA, (S)-DHPA5-26-16-00201 (Beilstein Handbook Reference)SCHEMBL936286CHEMBL494759DTXSID80969282BDBM50366323
Database identifiers
- CAS
54262-83-8- PubChem CID
- 73124
- DTXSID
DTXSID80969282- ChEMBL
CHEMBL494759- Nikkaji
- J90.866E
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 213 · 213-214 °C
- Boiling point
- 348.56 °C · 348.56°C (rough estimate)
- Density
- 1.3074 · 1.3074 (rough estimate)
- refractive index
- 1.8 · 1.8000 (estimate)
- pka
- 13.61 · 13.61±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- Toxicity
- 326 mg/L · dni-rbt:kdy 326 mg/L JMCMAR 28,282,85
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- dni-rbt:kdy 326 mg/L JMCMAR 28,282,85
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Suppliers2 total
武汉糖智药业有限公司027-63498076 13658392159 · [email protected]
ANHUI BYERSEN BIOTECH CO. LTD+8617355064950 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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