ChemSpider 2D Image | (3beta,5xi,9xi,22beta)-3,22-Dihydroxyolean-12-en-24-al | C30H48O3

(3β,5ξ,9ξ,22β)-3,22-Dihydroxyolean-12-en-24-al

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID24680682

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3β,5ξ,9ξ,22β)-3,22-Dihydroxyolean-12-en-24-al [German] [ACD/IUPAC Name]
(3β,5ξ,9ξ,22β)-3,22-Dihydroxyolean-12-en-24-al [ACD/IUPAC Name]
(3β,5ξ,9ξ,22β)-3,22-Dihydroxyoléan-12-én-24-al [French] [ACD/IUPAC Name]
Olean-12-en-24-al, 3,22-dihydroxy-, (3β,5ξ,9ξ,22β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 547.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.0±6.0 kJ/mol
Flash Point: 298.8±26.6 °C
Index of Refraction: 1.557
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.56
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 223567.97
ACD/KOC (pH 5.5): 234791.69
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 223567.97
ACD/KOC (pH 7.4): 234791.69
Polar Surface Area: 58 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 415.7±5.0 cm3

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