[(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
[(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
| Molecular Formula | C17H20N5O7P |
|---|---|
| Molecular Weight | 437.3 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 172.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.11005 |
| Heavy Atoms | 30 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 13484-66-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O |
| InChIKey | DWVANBHPEPSMOV-LSCFUAHRSA-N |
📖 Product Overview
[(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate (CAS: 13484-66-7) is a chemical compound with molecular formula C17H20N5O7P and molecular weight 437.3 g/mol. Its IUPAC systematic name is [(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
DWVANBHPEPSMOV-LSCFUAHRSA-N.
SMILES: C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O.
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