ChemSpider 2D Image | 1-O-[(2beta,3beta,5xi,9xi,18xi)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxy-30-methoxy-28,30-dioxoolean-12-en-28-yl]-beta-D-glucopyranose | C43H68O17

1-O-[(2β,3β,5ξ,9ξ,18ξ)-3-(β-D-Glucopyranosyloxy)-2,23-dihydroxy-30-methoxy-28,30-dioxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC43H68O17
  • Average mass856.990 Da
  • Monoisotopic mass856.445679 Da
  • ChemSpider ID9018561

  • defined stereocentres - 18 of 21 defined stereocentres

More details:

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

1-O-[(2β,3β,5ξ,9ξ,18ξ)-3-(β-D-Glucopyranosyloxy)-2,23-dihydroxy-30-methoxy-28,30-dioxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2β,3β,5ξ,9ξ,18ξ)-3-(β-D-Glucopyranosyloxy)-2,23-dihydroxy-30-methoxy-28,30-dioxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2β,3β,5ξ,9ξ,18ξ)-3-(β-D-Glucopyranosyloxy)-2,23-dihydroxy-30-méthoxy-28,30-dioxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(2β,3β,5ξ,9ξ,18ξ)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-30-methoxy-28,30-dioxoolean-12-en-28-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 932.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.9±6.0 kJ/mol
Flash Point: 271.0±27.8 °C
Index of Refraction: 1.625
Molar Refractivity: 210.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.28
ACD/KOC (pH 5.5): 341.11
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.28
ACD/KOC (pH 7.4): 341.11
Polar Surface Area: 283 Å2
Polarizability: 83.5±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 595.9±5.0 cm3

Click to predict properties on the Chemicalize site


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