Basic information
- Standard SMILES
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1ccccn1- InChIKey
POFYAGDBHIPFCM-QJPTWQEYSA-N- Molecular formula
- C14H16N4O4
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.117155
Names & identifiers
- Preferred name
- 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(2-pyridyl)pyrimidin-2-one
- IUPAC
- 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-pyridin-2-ylpyrimidin-2-one
Names & synonyms
SCHEMBL5872516POFYAGDBHIPFCM-QJPTWQEYSA-N5-(2-pyridinyl)-2'-deoxycytidine2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-5-(2-pyridinyl)-4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(2-pyridyl)pyrimidin-2-one
Database identifiers
- PubChem CID
- 5274200
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 507
Related reactions
4 records
Compound notes
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