ChemSpider 2D Image | (5beta,10alpha,13alpha,14beta,15beta,17alpha,20S,24E)-15-Hydroxy-3-oxolanosta-7,9(11),24-trien-26-oic acid | C30H44O4

(5β,10α,13α,14β,15β,17α,20S,24E)-15-Hydroxy-3-oxolanosta-7,9(11),24-trien-26-oic acid

  • Molecular FormulaC30H44O4
  • Average mass468.668 Da
  • Monoisotopic mass468.323975 Da
  • ChemSpider ID82965373

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5β,10α,13α,14β,15β,17α,20S,24E)-15-Hydroxy-3-oxolanosta-7,9(11),24-trien-26-oic acid [ACD/IUPAC Name]
(5β,10α,13α,14β,15β,17α,20S,24E)-15-Hydroxy-3-oxolanosta-7,9(11),24-trien-26-säure [German] [ACD/IUPAC Name]
Acide (5β,10α,13α,14β,15β,17α,20S,24E)-15-hydroxy-3-oxolanosta-7,9(11),24-trién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11),24-trien-26-oic acid, 15-hydroxy-3-oxo-, (5β,10α,13α,14β,15β,17α,20S,24E)- [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: 618.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.1±6.0 kJ/mol
Flash Point: 341.9±28.0 °C
Index of Refraction: 1.563
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 5543.50
ACD/KOC (pH 5.5): 11131.12
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 95.75
ACD/KOC (pH 7.4): 192.25
Polar Surface Area: 75 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 416.0±5.0 cm3

Click to predict properties on the Chemicalize site


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