ChemSpider 2D Image | (5xi,11beta,12beta,24Z)-11,12-Diacetoxy-17-methyl-3-oxolanosta-8,24-dien-26-oic acid | C35H52O7

(5ξ,11β,12β,24Z)-11,12-Diacetoxy-17-methyl-3-oxolanosta-8,24-dien-26-oic acid

  • Molecular FormulaC35H52O7
  • Average mass584.783 Da
  • Monoisotopic mass584.371277 Da
  • ChemSpider ID8229603

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(5ξ,11β,12β,24Z)-11,12-Diacetoxy-17-methyl-3-oxolanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(5ξ,11β,12β,24Z)-11,12-Diacetoxy-17-methyl-3-oxolanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (5ξ,11β,12β,24Z)-11,12-diacétoxy-17-méthyl-3-oxolanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 11,12-bis(acetyloxy)-17-methyl-3-oxo-, (5ξ,11β,12β,24Z)- [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: 646.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±6.0 kJ/mol
Flash Point: 192.7±25.0 °C
Index of Refraction: 1.540
Molar Refractivity: 160.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 50429.14
ACD/KOC (pH 5.5): 54066.50
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 871.03
ACD/KOC (pH 7.4): 933.86
Polar Surface Area: 107 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 511.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement