Cifostodine
1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-aminopyrimidin-2-one
| Molecular Formula | C9H12N3O7P |
|---|---|
| Molecular Weight | 305.18 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 144.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.0413 |
| Heavy Atoms | 20 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 633-90-9 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)C2C3C(C(O2)CO)OP(=O)(O3)O |
| InChIKey | NMPZCCZXCOMSDQ-XVFCMESISA-N |
📖 Product Overview
Cifostodine (CAS: 633-90-9) is a chemical compound with molecular formula C9H12N3O7P and molecular weight 305.18 g/mol. Its IUPAC systematic name is 1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-aminopyrimidin-2-one.
NMPZCCZXCOMSDQ-XVFCMESISA-N.
SMILES: C1=CN(C(=O)N=C1N)C2C3C(C(O2)CO)OP(=O)(O3)O.
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