ChemSpider 2D Image | lippiolic acid | C30H48O3

lippiolic acid

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID26377656

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-[(3α,4β,5β,8α,9β,10α,13α,14β,15β,16α)-16-Hydroxy-3,15-diisopropenyl-4,9-dimethylandrostan-4-yl]propanoic acid [ACD/IUPAC Name]
3-[(3α,4β,5β,8α,9β,10α,13α,14β,15β,16α)-16-Hydroxy-3,15-diisopropenyl-4,9-dimethylandrostan-4-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(3α,4β,5β,8α,9β,10α,13α,14β,15β,16α)-16-hydroxy-3,15-diisopropényl-4,9-diméthylandrostan-4-yl]propanoïque [French] [ACD/IUPAC Name]
lippiolic acid
Propanoic acid, 3-[(3α,4β,5β,8α,9β,10α,13α,14β,15β,16α)-16-hydroxy-4,9-dimethyl-3,15-bis(1-methylethenyl)androstan-4-yl]- [ACD/Index Name]
21β-hydroxy-3,4-seco-lupa-4(23),20(29)-dien-3-oic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 538.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.9±6.0 kJ/mol
Flash Point: 293.8±26.6 °C
Index of Refraction: 1.519
Molar Refractivity: 134.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.04
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 91583.30
ACD/KOC (pH 5.5): 72032.45
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 1458.57
ACD/KOC (pH 7.4): 1147.20
Polar Surface Area: 58 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 444.1±3.0 cm3

Click to predict properties on the Chemicalize site


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