ChemSpider 2D Image | 3,8-Dihydroxy-7-methoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl beta-D-glucopyranoside | C21H18O13

3,8-Dihydroxy-7-methoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl β-D-glucopyranoside

  • Molecular FormulaC21H18O13
  • Average mass478.360 Da
  • Monoisotopic mass478.074738 Da
  • ChemSpider ID28285542

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2-(β-D-glucopyranosyloxy)-3,8-dihydroxy-7-methoxy- [ACD/Index Name]
3,8-Dihydroxy-7-methoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
3,8-Dihydroxy-7-methoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 3,8-dihydroxy-7-méthoxy-5,10-dioxo-5,10-dihydrochroméno[5,4,3-cde]chromén-2-yle [French] [ACD/IUPAC Name]
4'-O-methylellagic acid 4-O-b-D-glucopyranoside

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

Density: 1.8±0.1 g/cm3
Boiling Point: 890.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 314.7±27.8 °C
Index of Refraction: 1.752
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.64
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 107.8±3.0 dyne/cm
Molar Volume: 260.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement