ChemSpider 2D Image | 6-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid | C27H26O18

6-(β-D-Glucopyranuronosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC27H26O18
  • Average mass638.484 Da
  • Monoisotopic mass638.111938 Da
  • ChemSpider ID58994370

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 6,7-bis(β-D-glucopyranuronosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-(β-D-Glucopyranuronosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
6-(β-D-Glucopyranuronosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 6-(β-D-glucopyranuronosyloxy)-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1087.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 167.2±3.0 kJ/mol
Flash Point: 358.4±27.8 °C
Index of Refraction: 1.761
Molar Refractivity: 139.1±0.3 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -4.16
ACD/LogD (pH 5.5): -8.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 300 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 126.3±3.0 dyne/cm
Molar Volume: 337.7±3.0 cm3

Click to predict properties on the Chemicalize site


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