Bauhinin
2-[(4R,5S,6S)-5-hydroxy-4-methoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
Also Known As: Bauhinin
CAS: 100757-58-2
| Molecular Formula | C15H21NO8 |
|---|---|
| Molecular Weight | 343.1267 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.1267 |
| Monoisotopic Mass | 343.1267 |
| Heavy Atoms | 24 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 100757-58-2 |
|---|---|
| SMILES | CO[C@@H]1C=CC(=CC#N)[C@@H]([C@H]1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | LZYYZVIACZQHFH-MZKUERFNSA-N |
Product Overview
Bauhinin (CAS 100757-58-2), with molecular formula C15H21NO8 and molecular weight 343.1267 g/mol. IUPAC: 2-[(4R,5S,6S)-5-hydroxy-4-methoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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