ChemSpider 2D Image | (3alpha,4alpha,5alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-16-Acetoxy-3,11,24,25-tetrahydroxy-4,8,14-trimethyl-18-norcholest-17-en-21-oic acid | C31H50O8

(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-Acetoxy-3,11,24,25-tetrahydroxy-4,8,14-trimethyl-18-norcholest-17-en-21-oic acid

  • Molecular FormulaC31H50O8
  • Average mass550.724 Da
  • Monoisotopic mass550.350586 Da
  • ChemSpider ID48063767

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-Acetoxy-3,11,24,25-tetrahydroxy-4,8,14-trimethyl-18-norcholest-17-en-21-oic acid [ACD/IUPAC Name]
(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-Acetoxy-3,11,24,25-tetrahydroxy-4,8,14-trimethyl-18-norcholest-17-en-21-säure [German] [ACD/IUPAC Name]
80445-74-5 [RN]
Acide (3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-acétoxy-3,11,24,25-tétrahydroxy-4,8,14-triméthyl-18-norcholest-17-én-21-oïque [French] [ACD/IUPAC Name]
Heptanoic acid, 2-[(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-5,6-dihydroxy-6-methyl-, (2Z)- [ACD/Index Name]
(Z)-2-((3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyldodecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)-5,6-dihydroxy-6-methylheptanoic acid
1335014-65-7 [RN]
24,25-Dihydroxy Fusidic Acid

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 705.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.1 mmHg at 25°C
    Enthalpy of Vaporization: 118.0±6.0 kJ/mol
    Flash Point: 221.4±26.4 °C
    Index of Refraction: 1.571
    Molar Refractivity: 146.4±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 3.35
    ACD/LogD (pH 5.5): 2.08
    ACD/BCF (pH 5.5): 10.05
    ACD/KOC (pH 5.5): 69.93
    ACD/LogD (pH 7.4): 0.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.26
    Polar Surface Area: 145 Å2
    Polarizability: 58.0±0.5 10-24cm3
    Surface Tension: 55.9±5.0 dyne/cm
    Molar Volume: 445.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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