ChemSpider 2D Image | (17Z)-16-Acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oic acid | C31H48O6

(17Z)-16-Acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oic acid

  • Molecular FormulaC31H48O6
  • Average mass516.709 Da
  • Monoisotopic mass516.345093 Da
  • ChemSpider ID26326898

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(17Z)-16-Acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oic acid [ACD/IUPAC Name]
(17Z)-16-Acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-säure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 2-[(17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methyl-, (2Z)- [ACD/Index Name]
Acide (17Z)-16-acétoxy-3,11-dihydroxy-4,8,14-triméthyl-18-norcholesta-17,24-dién-21-oïque [French] [ACD/IUPAC Name]
230-256-0 [EINECS]
6990-06-3 [RN]
fusidic acid [INN] [Wiki]
MFCD00865135 [MDL number]
RC1350000

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 635.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.2 mmHg at 25°C
    Enthalpy of Vaporization: 107.6±6.0 kJ/mol
    Flash Point: 197.7±25.0 °C
    Index of Refraction: 1.558
    Molar Refractivity: 143.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.41
    ACD/LogD (pH 5.5): 4.50
    ACD/BCF (pH 5.5): 688.79
    ACD/KOC (pH 5.5): 1441.59
    ACD/LogD (pH 7.4): 2.75
    ACD/BCF (pH 7.4): 12.45
    ACD/KOC (pH 7.4): 26.05
    Polar Surface Area: 104 Å2
    Polarizability: 56.7±0.5 10-24cm3
    Surface Tension: 49.2±5.0 dyne/cm
    Molar Volume: 443.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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