ChemSpider 2D Image | (3beta,5beta,8alpha,9beta,10alpha,14beta,17alpha,18alpha,19alpha,20beta)-3-Hydroxyurs-12-en-23-oic acid | C30H48O3

(3β,5β,8α,9β,10α,14β,17α,18α,19α,20β)-3-Hydroxyurs-12-en-23-oic acid

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID82964119

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,5β,8α,9β,10α,14β,17α,18α,19α,20β)-3-Hydroxyurs-12-en-23-oic acid [ACD/IUPAC Name]
(3β,5β,8α,9β,10α,14β,17α,18α,19α,20β)-3-Hydroxyurs-12-en-23-säure [German] [ACD/IUPAC Name]
Acide (3β,5β,8α,9β,10α,14β,17α,18α,19α,20β)-3-hydroxyurs-12-én-23-oïque [French] [ACD/IUPAC Name]
Urs-12-en-23-oic acid, 3-hydroxy-, (3β,5β,8α,9β,10α,14β,17α,18α,19α,20β)- [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: 556.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 304.1±26.6 °C
Index of Refraction: 1.555
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.38
ACD/LogD (pH 5.5): 7.59
ACD/BCF (pH 5.5): 174944.34
ACD/KOC (pH 5.5): 88770.94
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 2849.08
ACD/KOC (pH 7.4): 1445.69
Polar Surface Area: 58 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 415.7±5.0 cm3

Click to predict properties on the Chemicalize site


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