ChemSpider 2D Image | 7-(beta-D-threo-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glycero-hexopyranosiduronic acid | C27H28O17

7-(β-D-threo-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glycero-hexopyranosiduronic acid

  • Molecular FormulaC27H28O17
  • Average mass624.501 Da
  • Monoisotopic mass624.132629 Da
  • ChemSpider ID24844609

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-(β-D-threo-hexopyranosyloxy)-3-(β-D-glycero-hexopyranuronosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
7-(β-D-threo-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glycero-hexopyranosiduronic acid [ACD/IUPAC Name]
7-(β-D-threo-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-β-D-glycero-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glycéro-hexopyranosiduronique de 7-(β-D-thréo-hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-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: 1053.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.6±3.0 kJ/mol
Flash Point: 347.9±27.8 °C
Index of Refraction: 1.775
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -3.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 132.8±5.0 dyne/cm
Molar Volume: 331.4±5.0 cm3

Click to predict properties on the Chemicalize site


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