ChemSpider 2D Image | 3-(D-Altropyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl methyl D-allopyranosiduronate | C28H30O17

3-(D-Altropyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl methyl D-allopyranosiduronate

  • Molecular FormulaC28H30O17
  • Average mass638.528 Da
  • Monoisotopic mass638.148315 Da
  • ChemSpider ID28286954

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

3-(D-Altropyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl methyl D-allopyranosiduronate [ACD/IUPAC Name]
3-(D-Altropyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-methyl-D-allopyranosiduronat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(D-altropyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(6-methyl-D-allopyranuronosyl)oxy]- [ACD/Index Name]
corchoruside B

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

Density: 1.8±0.1 g/cm3
Boiling Point: 978.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.4±3.0 kJ/mol
Flash Point: 321.0±27.8 °C
Index of Refraction: 1.737
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.92
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 115.8±5.0 dyne/cm
Molar Volume: 356.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement