Neplanocin A
(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
| Molecular Formula | C11H13N5O3 |
|---|---|
| Molecular Weight | 263.25 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 130.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.10184 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 72877-50-0 |
|---|---|
| SMILES | C1=C(C(C(C1N2C=NC3=C(N=CN=C32)N)O)O)CO |
| InChIKey | XUGWUUDOWNZAGW-VDAHYXPESA-N |
📖 Product Overview
Neplanocin A (CAS: 72877-50-0) is a chemical compound with molecular formula C11H13N5O3 and molecular weight 263.25 g/mol. Its IUPAC systematic name is (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol.
XUGWUUDOWNZAGW-VDAHYXPESA-N.
SMILES: C1=C(C(C(C1N2C=NC3=C(N=CN=C32)N)O)O)CO.
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