3'-O-phosphonatocytidine
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate
Also Known As: 3'-Cytidylic acid|3'-cytidylate|3'-O-phosphonatocytidine|Cytidine 3'-phosphate|Cytidine 3'-monophosphate|Cytidine-5'-monophosphate|Cytidine-3'-Monophosphate|3'-CMP|cytidine 3'-phosphate (2-)|3'-CMP(2-)|3a(2)-Cytidylic acid, ion(2-)|EINECS 201-537-5|2-Benzothiazolecarbonitrile, 7-hydroxy-|[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate
CAS: 47136-83-4
| Molecular Formula | C9H12N3O8P-2 |
|---|---|
| Molecular Weight | 321.0362 g/mol |
| LogP | -3.71 |
| Topological Polar Surface Area | 183.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.0362 |
| Monoisotopic Mass | 321.0362 |
| Heavy Atoms | 21 |
| Complexity | 615.2555 |
Chemical Identifiers
| CAS Number | 47136-83-4 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])O |
Product Overview
3'-O-phosphonatocytidine (CAS 47136-83-4), with molecular formula C9H12N3O8P-2 and molecular weight 321.0362 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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