ChemSpider 2D Image | (5beta,13alpha,14beta,17alpha)-3-Oxolanosta-8,24-dien-21-oic acid | C30H46O3

(5β,13α,14β,17α)-3-Oxolanosta-8,24-dien-21-oic acid

  • Molecular FormulaC30H46O3
  • Average mass454.684 Da
  • Monoisotopic mass454.344696 Da
  • ChemSpider ID28536199

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5β,13α,14β,17α)-3-Oxolanosta-8,24-dien-21-oic acid [ACD/IUPAC Name]
(5β,13α,14β,17α)-3-Oxolanosta-8,24-dien-21-säure [German] [ACD/IUPAC Name]
Acide (5β,13α,14β,17α)-3-oxolanosta-8,24-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-21-oic acid, 3-oxo-, (5β,13α,14β,17α)- [ACD/Index Name]
28282-25-9 [RN]
Elemonic acid,β

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

Density: 1.1±0.1 g/cm3
Boiling Point: 565.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 309.6±26.6 °C
Index of Refraction: 1.542
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.56
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 58298.12
ACD/KOC (pH 5.5): 49483.12
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 918.39
ACD/KOC (pH 7.4): 779.53
Polar Surface Area: 54 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 424.8±5.0 cm3

Click to predict properties on the Chemicalize site


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