Basic information
- Standard SMILES
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O.N#CCCOP(=O)([O-])[O-]- InChIKey
NIKRQRFDORJUCS-HNPMAXIBSA-L- Molecular formula
- C13H17N6O8P-2
- Average molar mass
- 416.28 g/mol
Names & identifiers
- Preferred name
- AZT cyanoethylphosphate
- IUPAC
- 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2-cyanoethyl phosphate
Names & synonyms
AZT cyanoethylphosphateNIKRQRFDORJUCS-HNPMAXIBSA-L
Database identifiers
- PubChem CID
- 86746554
Properties
Computed structural properties
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- -2
- Complexity
- 637
Related reactions
1 records
Compound notes
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