ChemSpider 2D Image | 4alpha-hydroxymethyl-4beta-methyl-5alpha-8-cholesten-3beta-ol | C29H50O2

4α-hydroxymethyl-4β-methyl-5α-8-cholesten-3β-ol

  • Molecular FormulaC29H50O2
  • Average mass430.706 Da
  • Monoisotopic mass430.381073 Da
  • ChemSpider ID24850085

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,4α,5α)-4-(Hydroxymethyl)-4-methylcholest-8-en-3-ol [ACD/IUPAC Name]
(3β,4α,5α)-4-(Hydroxymethyl)-4-methylcholest-8-en-3-ol [German] [ACD/IUPAC Name]
(3β,4α,5α)-4-(Hydroxyméthyl)-4-méthylcholest-8-én-3-ol [French] [ACD/IUPAC Name]
4α-hydroxymethyl-4β-methyl-5α-8-cholesten-3β-ol
Cholest-8-en-3-ol, 4-(hydroxymethyl)-4-methyl-, (3β,4α,5α)- [ACD/Index Name]
(2S,5S,6R,7R,11R,14R,15R)-6-(hydroxymethyl)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-1(10)-en-5-ol
4&α;-hydroxymethyl-4&β;-methyl-5&α;-cholesta-8-en-3&β;-ol
4??-(hydroxymethyl)-4-methyl-5??-cholest-8-en-3??-ol
4??-hydroxymethyl-4??-methyl-5??-cholest-8-en-3??-ol
4??-hydroxymethyl-4??-methyl-5??-cholesta-8-en-3??-ol
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 527.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.3±6.0 kJ/mol
Flash Point: 214.3±24.7 °C
Index of Refraction: 1.533
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.18
ACD/LogD (pH 5.5): 8.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 782107.06
ACD/LogD (pH 7.4): 8.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 782107.06
Polar Surface Area: 40 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 420.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement