ChemSpider 2D Image | Methyl (3alpha,5beta,7alpha,10xi,12beta,24E)-3,7,12-trihydroxycholest-24-en-26-oate | C28H46O5

Methyl (3α,5β,7α,10ξ,12β,24E)-3,7,12-trihydroxycholest-24-en-26-oate

  • Molecular FormulaC28H46O5
  • Average mass462.662 Da
  • Monoisotopic mass462.334534 Da
  • ChemSpider ID58816055

  • 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,5β,7α,10ξ,12β,24E)-3,7,12-Trihydroxycholest-24-én-26-oate de méthyle [French] [ACD/IUPAC Name]
Cholest-24-en-26-oic acid, 3,7,12-trihydroxy-, methyl ester, (3α,5β,7α,10ξ,12β,24E)- [ACD/Index Name]
Methyl (3α,5β,7α,10ξ,12β,24E)-3,7,12-trihydroxycholest-24-en-26-oate [ACD/IUPAC Name]
Methyl-(3α,5β,7α,10ξ,12β,24E)-3,7,12-trihydroxycholest-24-en-26-oat [German] [ACD/IUPAC Name]
144210-47-9 [RN]
methyl-3,7,12-trihydroxycholest-24-ene-26-oate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 581.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 183.9±23.6 °C
Index of Refraction: 1.541
Molar Refractivity: 129.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 557.38
ACD/KOC (pH 5.5): 3215.86
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 557.38
ACD/KOC (pH 7.4): 3215.86
Polar Surface Area: 87 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 413.1±3.0 cm3

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