citicoline
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
| Molecular Formula | C14H26N4O11P2 |
|---|---|
| Molecular Weight | 488.32 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 214.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 488.10733 |
| Heavy Atoms | 31 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 987-78-0 |
|---|---|
| SMILES | C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O |
| InChIKey | RZZPDXZPRHQOCG-OJAKKHQRSA-N |
📖 Product Overview
citicoline (CAS: 987-78-0) is a chemical compound with molecular formula C14H26N4O11P2 and molecular weight 488.32 g/mol. Its IUPAC systematic name is [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-(trimethylazaniumyl)ethyl phosphate.
RZZPDXZPRHQOCG-OJAKKHQRSA-N.
SMILES: C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.
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