ChemSpider 2D Image | 4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-(beta-D-galactopyranuronosyloxy)phenyl beta-D-galactopyranosiduronic acid | C27H26O18

4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-(β-D-galactopyranuronosyloxy)phenyl β-D-galactopyranosiduronic acid

  • Molecular FormulaC27H26O18
  • Average mass638.484 Da
  • Monoisotopic mass638.111938 Da
  • ChemSpider ID115269540

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-(β-D-galactopyranuronosyloxy)phenyl β-D-galactopyranosiduronic acid [ACD/IUPAC Name]
4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-(β-D-galactopyranuronosyloxy)phenyl-β-D-galactopyranosiduronsäure [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3,4-bis(β-D-galactopyranuronosyloxy)phenyl]-5,7-dihydroxy- [ACD/Index Name]
Acide β-D-galactopyranosiduronique de 4-(5,7-dihydroxy-4-oxo-4H-chromén-2-yl)-2-(β-D-galactopyranuronosyloxy)phényle [French] [ACD/IUPAC Name]
Luteolin 3',4'-digalacturonide

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1063.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.2±3.0 kJ/mol
Flash Point: 350.8±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: -3.57
ACD/LogD (pH 5.5): -7.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.77
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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