ChemSpider 2D Image | (5xi,8xi,9xi,10xi,17xi,18xi)-Olean-12-ene-3,11-diol | C30H50O2

(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-Olean-12-ene-3,11-diol

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID57641840

  • defined stereocentres - 1 of 9 defined stereocentres

More details:

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

(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-Olean-12-en-3,11-diol [German] [ACD/IUPAC Name]
(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-Olean-12-ene-3,11-diol [ACD/IUPAC Name]
(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-Oléan-12-ène-3,11-diol [French] [ACD/IUPAC Name]
Olean-12-ene-3,11-diol, (5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)- [ACD/Index Name]
11[α]-Hydroxy-[β]-amyrin
5282-14-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 523.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.7±6.0 kJ/mol
Flash Point: 211.3±24.7 °C
Index of Refraction: 1.550
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 8.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1080576.75
ACD/LogD (pH 7.4): 8.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1080576.75
Polar Surface Area: 40 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 418.7±5.0 cm3

Click to predict properties on the Chemicalize site


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