ChemSpider 2D Image | 2,6,7-Trimethoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-1-yl beta-D-glucopyranoside | C23H22O13

2,6,7-Trimethoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-1-yl β-D-glucopyranoside

  • Molecular FormulaC23H22O13
  • Average mass506.413 Da
  • Monoisotopic mass506.106049 Da
  • ChemSpider ID2340083

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 1-(β-D-glucopyranosyloxy)-2,6,7-trimethoxy-
[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 1-(β-D-glucopyranosyloxy)-2,6,7-trimethoxy- [ACD/Index Name]
2,6,7-Trimethoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
2,6,7-Trimethoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 2,6,7-triméthoxy-5,10-dioxo-5,10-dihydrochroméno[5,4,3-cde]chromén-1-yle [French] [ACD/IUPAC Name]
114942-09-5 [RN]
3,7,8-Tri-O-methylellagic acid 4-glucoside
TMEAG

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

Density: 1.6±0.1 g/cm3
Boiling Point: 848.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.2±3.0 kJ/mol
Flash Point: 294.4±27.8 °C
Index of Refraction: 1.667
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.82
ACD/KOC (pH 5.5): 53.32
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 53.32
Polar Surface Area: 180 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 78.0±3.0 dyne/cm
Molar Volume: 311.6±3.0 cm3

Click to predict properties on the Chemicalize site


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