ChemSpider 2D Image | (16alpha)-16,29-Dihydroxy-24-methylene-3-oxolanosta-7,9(11)-dien-21-oic acid | C31H46O5

(16α)-16,29-Dihydroxy-24-methylene-3-oxolanosta-7,9(11)-dien-21-oic acid

  • Molecular FormulaC31H46O5
  • Average mass498.694 Da
  • Monoisotopic mass498.334534 Da
  • ChemSpider ID78441042

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(16α)-16,29-Dihydroxy-24-methylen-3-oxolanosta-7,9(11)-dien-21-säure [German] [ACD/IUPAC Name]
(16α)-16,29-Dihydroxy-24-methylene-3-oxolanosta-7,9(11)-dien-21-oic acid [ACD/IUPAC Name]
Acide (16α)-16,29-dihydroxy-24-méthylène-3-oxolanosta-7,9(11)-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11)-dien-21-oic acid, 16,29-dihydroxy-24-methylene-3-oxo-, (16α)- [ACD/Index Name]
29-hydroxypolyporenic acid C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±6.0 kJ/mol
Flash Point: 365.2±28.0 °C
Index of Refraction: 1.567
Molar Refractivity: 141.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 257.32
ACD/KOC (pH 5.5): 965.08
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 4.04
ACD/KOC (pH 7.4): 15.17
Polar Surface Area: 95 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 431.9±5.0 cm3

Click to predict properties on the Chemicalize site


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