ChemSpider 2D Image | 4-[3-(beta-D-glycero-Hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,6-dihydroxyphenyl beta-D-glycero-hexopyranoside | C27H30O18

4-[3-(β-D-glycero-Hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,6-dihydroxyphenyl β-D-glycero-hexopyranoside

  • Molecular FormulaC27H30O18
  • Average mass642.516 Da
  • Monoisotopic mass642.143188 Da
  • ChemSpider ID24845114

  • defined stereocentres - 4 of 10 defined stereocentres

More details:

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

4-[3-(β-D-glycero-Hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,6-dihydroxyphenyl β-D-glycero-hexopyranoside [ACD/IUPAC Name]
4-[3-(β-D-glycero-Hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,6-dihydroxyphenyl-β-D-glycero-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(β-D-glycero-hexopyranosyloxy)-2-[4-(β-D-glycero-hexopyranosyloxy)-3,5-dihydroxyphenyl]-5,7-dihydroxy- [ACD/Index Name]
β-D-glycéro-Hexopyranoside de 4-[3-(β-D-glycéro-hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromén-2-yl]-2,6-dihydroxyphényle [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1103.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.9±3.0 kJ/mol
Flash Point: 361.9±27.8 °C
Index of Refraction: 1.808
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): -3.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 306 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 151.0±5.0 dyne/cm
Molar Volume: 328.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement