sodium [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Basic information
- CAS
81487-28-7- Standard SMILES
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)([O-])O)c(=O)n1.[Na+]- InChIKey
PYLAOTKQBVDYBL-IAIGYFSYSA-M- Molecular formula
- C9H13N3NaO8P
- Average molar mass
- 345.18 g/mol
- Monoisotopic mass
- 345.03379566
Names & identifiers
- Preferred name
- sodium [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- IUPAC
- sodium [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Database identifiers
- CAS
81487-28-7- PubChem CID
- 175676171
- EC Number
- 279-770-7
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 543
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Compound notes
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