ChemSpider 2D Image | 4-(3,4-Dihydroxyphenyl)-7-methoxy-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside | C22H22O11

4-(3,4-Dihydroxyphenyl)-7-methoxy-2-oxo-2H-chromen-5-yl β-D-glucopyranoside

  • Molecular FormulaC22H22O11
  • Average mass462.404 Da
  • Monoisotopic mass462.116211 Da
  • ChemSpider ID22913104

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2H-1-Benzopyran-2-one, 4-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-methoxy- [ACD/Index Name]
4-(3,4-Dihydroxyphenyl)-7-methoxy-2-oxo-2H-chromen-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
4-(3,4-Dihydroxyphenyl)-7-methoxy-2-oxo-2H-chromen-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-(3,4-dihydroxyphényl)-7-méthoxy-2-oxo-2H-chromén-5-yle [French] [ACD/IUPAC Name]
116310-58-8 [RN]
5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside
5-O-β-D-glucopyranosyl-3'-4'-dihydroxy-7-methoxy-4-phenylcoumarin
5-O-β-D-glucopyranosyl-7-methoxy-3',4'-dihydroxy-4-phenylcoumarin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463401/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 816.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 286.2±27.8 °C
Index of Refraction: 1.695
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.95
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.67
Polar Surface Area: 175 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 85.2±3.0 dyne/cm
Molar Volume: 287.2±3.0 cm3

Click to predict properties on the Chemicalize site


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