ChemSpider 2D Image | (3beta,16alpha)-3,16-Dihydroxy-24-methylenelanost-8-en-21-oic acid | C31H50O4

(3β,16α)-3,16-Dihydroxy-24-methylenelanost-8-en-21-oic acid

  • Molecular FormulaC31H50O4
  • Average mass486.726 Da
  • Monoisotopic mass486.370911 Da
  • ChemSpider ID21468698

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,16α)-3,16-Dihydroxy-24-methylenelanost-8-en-21-oic acid [ACD/IUPAC Name]
(3β,16α)-3,16-Dihydroxy-24-methylenlanost-8-en-21-säure [German] [ACD/IUPAC Name]
Acide (3β,16α)-3,16-dihydroxy-24-méthylènelanost-8-én-21-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-21-oic acid, 3,16-dihydroxy-24-methylene-, (3β,16α)- [ACD/Index Name]
(3β,16α)-3,16-dihydroxy-24-methylidenelanost-8-en-21-oic acid
3β,16α-dihydroxy-lanosta-8,24(28)-dien-21-oic acid
508-24-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL461484/
tumulosic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 332.6±28.0 °C
Index of Refraction: 1.550
Molar Refractivity: 141.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 21914.29
ACD/KOC (pH 5.5): 23386.60
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 344.35
ACD/KOC (pH 7.4): 367.49
Polar Surface Area: 78 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 442.4±5.0 cm3

Click to predict properties on the Chemicalize site


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