ChemSpider 2D Image | (5beta,8alpha,9beta,10alpha,13alpha,14beta,17alpha)-3-Oxoolean-18-en-28-oic acid | C30H46O3

(5β,8α,9β,10α,13α,14β,17α)-3-Oxoolean-18-en-28-oic acid

  • Molecular FormulaC30H46O3
  • Average mass454.684 Da
  • Monoisotopic mass454.344696 Da
  • ChemSpider ID82964320

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5β,8α,9β,10α,13α,14β,17α)-3-Oxoolean-18-en-28-oic acid [ACD/IUPAC Name]
(5β,8α,9β,10α,13α,14β,17α)-3-Oxoolean-18-en-28-säure [German] [ACD/IUPAC Name]
Acide (5β,8α,9β,10α,13α,14β,17α)-3-oxooléan-18-én-28-oïque [French] [ACD/IUPAC Name]
Olean-18-en-28-oic acid, 3-oxo-, (5β,8α,9β,10α,13α,14β,17α)- [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: 550.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 300.5±26.6 °C
Index of Refraction: 1.552
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 8.53
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 127758.00
ACD/KOC (pH 5.5): 83790.80
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 2007.54
ACD/KOC (pH 7.4): 1316.66
Polar Surface Area: 54 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 413.8±5.0 cm3

Click to predict properties on the Chemicalize site


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