O-beta-D-Gentiobiosyl-D-(-)-mandelamide
Basic information
- CAS
66427-91-6- Standard SMILES
NC(=O)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1- InChIKey
OCQMNDCGKQJTNY-BFMJJVGDSA-N- Molecular formula
- C20H29NO12
- Average molar mass
- 475.4 g/mol
- Monoisotopic mass
- 475.16897536
Names & identifiers
- Preferred name
- O-beta-D-Gentiobiosyl-D-(-)-mandelamide
- IUPAC
- (2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide
Names & synonyms
O-beta-D-Gentiobiosyl-D-(-)-mandelamide66427-91-63PFP3C9C84CHEMBL4855529DTXSID90985094MANDELAMIDE-BETA-D-GENTIOBIOSIDE, D-(-)-2-[(6-O-Hexopyranosylhexopyranosyl)oxy]-2-phenylethanimidic acid(2R)-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)ethanimidic acid(alphaR)-alpha-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]benzeneacetamideBenzeneacetamide, alpha-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-, (alphaR)-
Database identifiers
- CAS
66427-91-6- PubChem CID
- 181802
- DTXSID
DTXSID90985094- ChEMBL
CHEMBL4855529- UNII
- 3PFP3C9C84
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 222 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…