ChemSpider 2D Image | (3alpha,15alpha,17xi,24E)-15-Acetoxy-3-hydroxylanosta-7,9(11),24-trien-26-oic acid | C32H48O5

(3α,15α,17ξ,24E)-15-Acetoxy-3-hydroxylanosta-7,9(11),24-trien-26-oic acid

  • Molecular FormulaC32H48O5
  • Average mass512.721 Da
  • Monoisotopic mass512.350159 Da
  • ChemSpider ID115015601

  • 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

(3α,15α,17ξ,24E)-15-Acetoxy-3-hydroxylanosta-7,9(11),24-trien-26-oic acid [ACD/IUPAC Name]
(3α,15α,17ξ,24E)-15-Acetoxy-3-hydroxylanosta-7,9(11),24-trien-26-säure [German] [ACD/IUPAC Name]
Acide (3α,15α,17ξ,24E)-15-acétoxy-3-hydroxylanosta-7,9(11),24-trién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11),24-trien-26-oic acid, 15-(acetyloxy)-3-hydroxy-, (3α,15α,17ξ,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: 625.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.2±6.0 kJ/mol
Flash Point: 193.1±25.0 °C
Index of Refraction: 1.555
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.87
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 49212.32
ACD/KOC (pH 5.5): 53196.55
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 851.00
ACD/KOC (pH 7.4): 919.90
Polar Surface Area: 84 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 454.8±5.0 cm3

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