Basic information
- CAS
387372-26-1- Standard SMILES
O=C(O)[C@H]1O[C@@H](Oc2ccc(/C=C\c3cc(O)cc(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
CDEBVTGYVFHDMA-BMPGWQKJSA-N- Molecular formula
- C20H20O9
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.11073221
Overview
Cis-Resveratrol 4'-O-glucuronide is a glycoside and a stilbenoid.
Names & identifiers
- Preferred name
- cis-Resveratrol 4'-O-glucuronide
- IUPAC
- (2S,3S,4S,5R,6S)-6-[4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- English name
- cis Resveratrol 4O-b-D-Glucuronide
- Molecular formula
- C20H20O9
- Molecular weight
- 404.37
Names & synonyms
cis-Resveratrol 4'-O-glucuronide387372-26-1DTXSID801009346RefChem:1081980DTXCID001436173(2S,3S,4S,5R,6S)-6-[4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid4-[(1Z)-2-(3,5-Dihydroxyphenyl)ethenyl]phenylSCHEMBL30217634CHEBI:175989cis-Resveratrol 4'-O-b-D-glucuronidecis Resveratrol 4'-O-?-D-GlucuronideMR16848
Show more names
cis Resveratrol 4O-b-D-Glucuronidecis Resveratrol 4’-O--D-Glucuronidecis Resveratrol 4’-O-β-D-GlucuronideCis resveratrol 4'-O-beta-D-glucuronide4-[(1Z)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl -D-Glucopyranosiduronic Acid4-[(1Z)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl b-D-Glucopyranosiduronic Acidβ-D-Glucopyranosiduronic acid, 4-[(1Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl
4-[(Z)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl beta-D-glucopyranosiduronic acid
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 564
Physicochemical properties
- Melting point
- 100 °C · >100°C (dec.)
- Boiling point
- 750.3 · 750.3±60.0 °C(Predicted)
- Density
- 1.615 · 1.615±0.06 g/cm3(Predicted)
- storage temp.
- -86 °C · Amber Vial, -86°C Freezer, Under Inert Atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- pka
- 2.78 · 2.78±0.70(Predicted)
- form
- Solid
- color
- Off-White to Pale Red
- Stability
- Light Sensitive, Temperature Sensitive
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Applications
UsesA metabolite of cis Resveratrol.
Suppliers5 total
凯试（上海）科技有限公司021-50135380 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: Cis-Resveratrol 4'-O-glucuronide is a stilbenoid and a glycoside.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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