ChemSpider 2D Image | (3beta,5alpha,6alpha,15beta,22E,25S)-Cholest-22-ene-3,6,8,15,26-pentol | C27H46O5

(3β,5α,6α,15β,22E,25S)-Cholest-22-ene-3,6,8,15,26-pentol

  • Molecular FormulaC27H46O5
  • Average mass450.651 Da
  • Monoisotopic mass450.334534 Da
  • ChemSpider ID23339980

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5α,6α,15β,22E,25S)-Cholest-22-en-3,6,8,15,26-pentol [German] [ACD/IUPAC Name]
(3β,5α,6α,15β,22E,25S)-Cholest-22-ene-3,6,8,15,26-pentol [ACD/IUPAC Name]
(3β,5α,6α,15β,22E,25S)-Cholest-22-ène-3,6,8,15,26-pentol [French] [ACD/IUPAC Name]
Cholest-22-ene-3,6,8,15,26-pentol, (3β,5α,6α,15β,22E,25S)- [ACD/Index Name]
(22E,25S)-5α-cholest-22(23)-ene-3β,6α,8,15β,26-pentaol
5a-cholest-22(23)-en-3,6,8,15,26-pentaol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 259.9±26.1 °C
Index of Refraction: 1.575
Molar Refractivity: 126.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.27
ACD/KOC (pH 5.5): 707.87
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.27
ACD/KOC (pH 7.4): 707.87
Polar Surface Area: 101 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 383.0±3.0 cm3

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