ChemSpider 2D Image | 1-O-[(2alpha,3beta,5xi,9xi,18xi,19alpha)-2,3,19,24-Tetrahydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose | C36H58O11

1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,24-Tetrahydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC36H58O11
  • Average mass666.839 Da
  • Monoisotopic mass666.397888 Da
  • ChemSpider ID22913171
  • defined stereocentres - 13 of 16 defined stereocentres


More details:






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

1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,24-Tetrahydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,24-Tetrahydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,24-Tétrahydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,24-tetrahydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 775.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.6±6.0 kJ/mol
Flash Point: 234.7±26.4 °C
Index of Refraction: 1.616
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 277.96
ACD/KOC (pH 5.5): 1954.38
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 277.96
ACD/KOC (pH 7.4): 1954.35
Polar Surface Area: 197 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 491.8±5.0 cm3

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