Found 1 result

Search term: IECPWNUMDGFDKC-MZJAQBGESA-M (Found by InChIKey (full match))

ChemSpider 2D Image | (3alpha,4alpha,5alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-16-Acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oate | C31H47O6


  • Molecular FormulaC31H47O6
  • Average mass515.702 Da
  • Monoisotopic mass515.337830 Da
  • ChemSpider ID28533533
  • Charge - Charge

    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

(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-Acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oat [German] [ACD/IUPAC Name]
(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-Acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oate [ACD/IUPAC Name]
(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-Acétoxy-3,11-dihydroxy-4,8,14-triméthyl-18-norcholesta-17,24-dién-21-oate [French] [ACD/IUPAC Name]
5-Heptenoic acid, 2-[(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methyl-, ion(1-), (2Z)- [ACD/Index Name]
fusidic acid [INN] [Wiki]
Fusidin [Trade name]
  • Miscellaneous
    • Chemical Class:

      A steroid acid anion that is the conjugate base of fusidic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:71321

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

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:
Molar Refractivity:
#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: 107 Å2
Surface Tension:
Molar Volume:

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