6-Aza-2'-deoxycytidine
Basic information
- CAS
50-92-0- Standard SMILES
Nc1cnn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1- InChIKey
ZPYDYSQNSAQWMR-HBPOCXIASA-N- Molecular formula
- C8H12N4O4
- Average molar mass
- 228.21 g/mol
- Monoisotopic mass
- 228.08585488
Names & identifiers
- Preferred name
- 6-Aza-2'-deoxycytidine
- IUPAC
- 5-amino-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-3-one
Names & synonyms
6-aza-2'-deoxycytidineSCHEMBL11528515-Amino-2-(2-deoxy-|A-D-erythro-pentofuranosyl)-1,2,4-triazin-3(2H)-one
Database identifiers
- CAS
50-92-0- PubChem CID
- 9834501
- Nikkaji
- J2.488.988B
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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