(3R,4S,5S)-2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
Basic information
- CAS
58699-62-0- Standard SMILES
[N-]=[N+]=N[C@@H]1[C@@H](CO)OC(n2cnc3c(N)ncnc32)[C@@H]1O- InChIKey
HTWSTKVLFZRAPM-FWJKGUHCSA-N- Molecular formula
- C10H12N8O3
- Average molar mass
- 292.25 g/mol
- Monoisotopic mass
- 292.10323627
Names & identifiers
- Preferred name
- (3R,4S,5S)-2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
- IUPAC
- (3R,4S,5S)-2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
- English name
- 3'-azido-3'-deoxyadenosine
- Molecular formula
- C10H12N8O3
- Molecular weight
- 0
Names & synonyms
(3R,4S,5S)-2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)oxolan-3-olAdenosine, 3'-azido-3'-deoxy-3’-Azido-3’-deoxyadenosine3'-azido-3'-deoxyadenosineAntiviral antineoplastic agent3’-Azido-3’-deoxyadenosine Antiviral antineoplastic agent
Database identifiers
- CAS
58699-62-0- PubChem CID
- 124379
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Melting point
- 212 · 212-214 °C(Solv: water (7732-18-5))
- form
- Solid
- color
- White to off-white
- InChI
- InChI=1/C10H12N8O3/c11-8-6-9(14-2-13-8)18(3-15-6)10-7(20)5(16-17-12)4(1-19)21-10/h2-5,7,10,19-20H,1H2,(H2,11,13,14)/t4-,5-,7-,10-/s3
- InChIKey
- HTWSTKVLFZRAPM-RLCZZNSNNA-N
- SMILES
- OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@H](O)[C@@H]1N=[N+]=[N-] |&1:2,4,15,17,r|
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 228 · H228-H315-H319
- Precautionary statements
- 240 · P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H228-H315-H319
- Precautionary statements
- P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses3′-Azido-3′-deoxyAdenosine is a useful research chemical compound used in the preparation and general synthesis of purine (amino, azido, and triflate)-sugar nucleosides.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…