ChemSpider 2D Image | 4-{7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl}-2-hydroxyphenyl beta-D-glucopyranoside | C33H40O21

4-{7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl}-2-hydroxyphenyl β-D-glucopyranoside

  • Molecular FormulaC33H40O21
  • Average mass772.658 Da
  • Monoisotopic mass772.206238 Da
  • ChemSpider ID24685899

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

4-{7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl}-2-hydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-{7-[(6-Desoxy-α-L-mannopyranosyl)oxy]-3-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl}-2-hydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(6-deoxy-α-L-mannopyranosyl)oxy]-3-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy- [ACD/Index Name]
851474-44-7 [RN]
β-D-Glucopyranoside de 4-{7-[(6-désoxy-α-L-mannopyranosyl)oxy]-3-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromén-2-yl}-2-hydroxyphényle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL442686/

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1141.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 176.3±3.0 kJ/mol
Flash Point: 357.9±27.8 °C
Index of Refraction: 1.760
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.96
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 345 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 129.9±5.0 dyne/cm
Molar Volume: 417.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement