Basic information
- Standard SMILES
N#CCCOCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O- InChIKey
AZBQARYCGUDSNO-HJQYOEGKSA-N- Molecular formula
- C13H18N4O6
- Average molar mass
- 326.31 g/mol
- Monoisotopic mass
- 326.12263431
Names & identifiers
- Preferred name
- 2'-O-(2-Cyanoethoxymethyl)cytidine
- IUPAC
- 3-[[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxymethoxy]propanenitrile
Names & synonyms
SCHEMBL2107708AZBQARYCGUDSNO-HJQYOEGKSA-N2'-O-(2-Cyanoethoxymethyl)cytidine
Database identifiers
- PubChem CID
- 67279010
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
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