ChemSpider 2D Image | 1-O-[(3beta,5xi,9xi)-3-Hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose | C36H58O8

1-O-[(3β,5ξ,9ξ)-3-Hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC36H58O8
  • Average mass618.841 Da
  • Monoisotopic mass618.413147 Da
  • ChemSpider ID79741376

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

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

1-O-[(3β,5ξ,9ξ)-3-Hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ)-3-Hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ)-3-Hydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β,5ξ,9ξ)-3-hydroxy-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: 1.2±0.1 g/cm3
Boiling Point: 696.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.6±6.0 kJ/mol
Flash Point: 209.0±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 167.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 144791.39
ACD/KOC (pH 5.5): 172042.88
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 144789.48
ACD/KOC (pH 7.4): 172040.61
Polar Surface Area: 137 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 499.1±5.0 cm3

Click to predict properties on the Chemicalize site


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