ChemSpider 2D Image | (5xi,16alpha,20S)-16-Hydroxy-24-methylene-3-oxolanosta-7,9(11)-dien-21-oic acid | C31H46O4

(5ξ,16α,20S)-16-Hydroxy-24-methylene-3-oxolanosta-7,9(11)-dien-21-oic acid

  • Molecular FormulaC31H46O4
  • Average mass482.694 Da
  • Monoisotopic mass482.339600 Da
  • ChemSpider ID95601287

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5ξ,16α,20S)-16-Hydroxy-24-methylen-3-oxolanosta-7,9(11)-dien-21-säure [German] [ACD/IUPAC Name]
(5ξ,16α,20S)-16-Hydroxy-24-methylene-3-oxolanosta-7,9(11)-dien-21-oic acid [ACD/IUPAC Name]
Acide (5ξ,16α,20S)-16-hydroxy-24-méthylène-3-oxolanosta-7,9(11)-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11)-dien-21-oic acid, 16-hydroxy-24-methylene-3-oxo-, (5ξ,16α,20S)- [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: 620.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.4±6.0 kJ/mol
Flash Point: 343.0±28.0 °C
Index of Refraction: 1.555
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 3069.50
ACD/KOC (pH 5.5): 5690.90
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 48.24
ACD/KOC (pH 7.4): 89.44
Polar Surface Area: 75 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 434.7±5.0 cm3

Click to predict properties on the Chemicalize site


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