ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4-oxo-4H-chromen-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside | C32H38O17

2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4-oxo-4H-chromen-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranoside

  • Molecular FormulaC32H38O17
  • Average mass694.634 Da
  • Monoisotopic mass694.210876 Da
  • ChemSpider ID114934807

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4-oxo-4H-chromen-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4-oxo-4H-chromen-3-yl-6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(4-Carboxy-3-hydroxy-3-méthylbutanoyl)-β-D-glucopyranoside de 2-(3,4-diméthoxyphényl)-5,6,7-triméthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4-oxo-4H-1-benzopyran-3-yl, 6-(4-carboxy-3-hydroxy-3-methylbutanoate) [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 944.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.9±3.0 kJ/mol
Flash Point: 298.7±27.8 °C
Index of Refraction: 1.625
Molar Refractivity: 163.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.46
ACD/LogD (pH 7.4): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 235 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 461.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement