ChemSpider 2D Image | (3alpha,4alpha,5alpha,8alpha,9beta,13alpha,14beta,16beta,17Z)-16-Acetoxy-3-hydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oic acid | C31H48O5

(3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-Acetoxy-3-hydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oic acid

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID48063687

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-Acetoxy-3-hydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oic acid [ACD/IUPAC Name]
(3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-Acetoxy-3-hydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-säure [German] [ACD/IUPAC Name]
1013937-16-0 [RN]
5-Heptenoic acid, 2-[(3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-(acetyloxy)-3-hydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methyl-, (2Z)- [ACD/Index Name]
Acide (3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-acétoxy-3-hydroxy-4,8,14-triméthyl-18-norcholesta-17,24-dién-21-oïque [French] [ACD/IUPAC Name]
(Z)-2-((3R,4S,5S,8S,9S,10S,13R,14S,16S)-16-acetoxy-3-hydroxy-4,8,10,14-tetramethyldodecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)-6-methylhept-5-enoic acid
11-Deoxy Fusidic 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: 604.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 103.1±6.0 kJ/mol
    Flash Point: 186.7±25.0 °C
    Index of Refraction: 1.548
    Molar Refractivity: 141.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 8.41
    ACD/LogD (pH 5.5): 6.10
    ACD/BCF (pH 5.5): 11584.70
    ACD/KOC (pH 5.5): 11180.54
    ACD/LogD (pH 7.4): 4.34
    ACD/BCF (pH 7.4): 204.40
    ACD/KOC (pH 7.4): 197.27
    Polar Surface Area: 84 Å2
    Polarizability: 56.1±0.5 10-24cm3
    Surface Tension: 45.8±5.0 dyne/cm
    Molar Volume: 445.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement