ChemSpider 2D Image | (3beta,4alpha,5alpha,11beta,12alpha,22Z,24xi)-4-Methylergost-22-ene-3,8,11,12-tetrol | C29H50O4

(3β,4α,5α,11β,12α,22Z,24ξ)-4-Methylergost-22-ene-3,8,11,12-tetrol

  • Molecular FormulaC29H50O4
  • Average mass462.705 Da
  • Monoisotopic mass462.370911 Da
  • ChemSpider ID60596931

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(3β,4α,5α,11β,12α,22Z,24ξ)-4-Methylergost-22-en-3,8,11,12-tetrol [German] [ACD/IUPAC Name]
(3β,4α,5α,11β,12α,22Z,24ξ)-4-Methylergost-22-ene-3,8,11,12-tetrol [ACD/IUPAC Name]
(3β,4α,5α,11β,12α,22Z,24ξ)-4-Méthylergost-22-ène-3,8,11,12-tétrol [French] [ACD/IUPAC Name]
Ergost-22-ene-3,8,11,12-tetrol, 4-methyl-, (3β,4α,5α,11β,12α,22Z,24ξ)- [ACD/Index Name]
4α,24-Dimethyl-5α-cholesta-22Z-ene-3β,8β,11β,12α-tetraol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 561.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 228.9±24.7 °C
Index of Refraction: 1.549
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1442.82
ACD/KOC (pH 5.5): 6352.77
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1442.82
ACD/KOC (pH 7.4): 6352.77
Polar Surface Area: 81 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 422.4±3.0 cm3

Click to predict properties on the Chemicalize site


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