ChemSpider 2D Image | 6-O-beta-D-Glucopyranosyl-1-O-[(2alpha,3beta,5xi,18xi)-3-(beta-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose | C48H78O20

6-O-β-D-Glucopyranosyl-1-O-[(2α,3β,5ξ,18ξ)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC48H78O20
  • Average mass975.121 Da
  • Monoisotopic mass974.508667 Da
  • ChemSpider ID9106316

  • defined stereocentres - 23 of 25 defined stereocentres

More details:

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

6-O-β-D-Glucopyranosyl-1-O-[(2α,3β,5ξ,18ξ)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-1-O-[(2α,3β,5ξ,18ξ)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-1-O-[(2α,3β,5ξ,18ξ)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 6-O-β-D-glucopyranosyl-1-O-[(2α,3β,5ξ,18ξ)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1047.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 173.5±6.0 kJ/mol
Flash Point: 297.1±27.8 °C
Index of Refraction: 1.639
Molar Refractivity: 237.8±0.4 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.68
ACD/KOC (pH 5.5): 70.42
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.68
ACD/KOC (pH 7.4): 70.42
Polar Surface Area: 335 Å2
Polarizability: 94.3±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 660.5±5.0 cm3

Click to predict properties on the Chemicalize site


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