Pentagalloylglucose
[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
| Molecular Formula | C41H32O26 |
|---|---|
| Molecular Weight | 940.7 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 444.0 A2 |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 16 |
| Exact Mass | 940.11816 |
| Heavy Atoms | 67 |
| Complexity | 1680.0 |
Chemical Identifiers
| CAS Number | 14937-32-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O |
| InChIKey | QJYNZEYHSMRWBK-NIKIMHBISA-N |
📖 Product Overview
Pentagalloylglucose (CAS: 14937-32-7) is a chemical compound with molecular formula C41H32O26 and molecular weight 940.7 g/mol. Its IUPAC systematic name is [(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
QJYNZEYHSMRWBK-NIKIMHBISA-N.
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O.
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