Isopilosine
(3S,4R)-3-[(R)-hydroxy(phenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.33 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 64.4 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 491-88-3 |
|---|---|
| SMILES | CN1C=NC=C1CC2COC(=O)C2C(C3=CC=CC=C3)O |
| InChIKey | DZOVBAVEJYPSLL-QEJZJMRPSA-N |
📖 Product Overview
Isopilosine (CAS: 491-88-3) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.33 g/mol. Its IUPAC systematic name is (3S,4R)-3-[(R)-hydroxy(phenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one.
DZOVBAVEJYPSLL-QEJZJMRPSA-N.
SMILES: CN1C=NC=C1CC2COC(=O)C2C(C3=CC=CC=C3)O.
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