ChemSpider 2D Image | Methyl kulonate | C31H48O4

Methyl kulonate

  • Molecular FormulaC31H48O4
  • Average mass484.710 Da
  • Monoisotopic mass484.355255 Da
  • ChemSpider ID23340020

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(13α,14β,16β,17α)-16-Hydroxy-3-oxolanosta-7,24-dién-21-oate de méthyle [French] [ACD/IUPAC Name]
Lanosta-7,24-dien-21-oic acid, 16-hydroxy-3-oxo-, methyl ester, (13α,14β,16β,17α)- [ACD/Index Name]
Methyl (13α,14β,16β,17α)-16-hydroxy-3-oxolanosta-7,24-dien-21-oate [ACD/IUPAC Name]
Methyl kulonate
Methyl-(13α,14β,16β,17α)-16-hydroxy-3-oxolanosta-7,24-dien-21-oat [German] [ACD/IUPAC Name]
22611-37-6 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517173/
Methyl(13α,14β,16β,17α)-16-hydroxy-3-oxolanosta-7,24-dien-21-oate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 567.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.9±6.0 kJ/mol
    Flash Point: 173.1±23.6 °C
    Index of Refraction: 1.538
    Molar Refractivity: 140.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 7.35
    ACD/LogD (pH 5.5): 6.99
    ACD/BCF (pH 5.5): 121574.16
    ACD/KOC (pH 5.5): 151812.42
    ACD/LogD (pH 7.4): 6.99
    ACD/BCF (pH 7.4): 121574.16
    ACD/KOC (pH 7.4): 151812.42
    Polar Surface Area: 64 Å2
    Polarizability: 55.6±0.5 10-24cm3
    Surface Tension: 42.5±5.0 dyne/cm
    Molar Volume: 448.3±5.0 cm3

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