ChemSpider 2D Image | 4-(5,7-Dihydroxy-6,8-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl D-glucopyranoside | C24H26O13

4-(5,7-Dihydroxy-6,8-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl D-glucopyranoside

  • Molecular FormulaC24H26O13
  • Average mass522.455 Da
  • Monoisotopic mass522.137329 Da
  • ChemSpider ID24697135

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

4-(5,7-Dihydroxy-6,8-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl D-glucopyranoside [ACD/IUPAC Name]
4-(5,7-Dihydroxy-6,8-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(D-glucopyranosyloxy)-3-methoxyphenyl]-5,7-dihydroxy-6,8-dimethoxy- [ACD/Index Name]
D-Glucopyranoside de 4-(5,7-dihydroxy-6,8-diméthoxy-4-oxo-4H-chromén-2-yl)-2-méthoxyphényle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL477357/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 849.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 289.7±27.8 °C
Index of Refraction: 1.660
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.24
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.27
Polar Surface Area: 194 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 335.2±3.0 cm3

Click to predict properties on the Chemicalize site


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