ChemSpider 2D Image | 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde | C29H48O2

3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carbaldehyde

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID20016176

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,4α,5α)-3-Hydroxy-4-methylcholest-7-en-4-carbaldehyd [German] [ACD/IUPAC Name]
(3β,4α,5α)-3-Hydroxy-4-methylcholest-7-ene-4-carbaldehyde [ACD/IUPAC Name]
(3β,4α,5α)-3-Hydroxy-4-méthylcholest-7-ène-4-carbaldéhyde [French] [ACD/IUPAC Name]
3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carbaldehyde
Cholest-7-ene-4-carboxaldehyde, 3-hydroxy-4-methyl-, (3β,4α,5α)- [ACD/Index Name]
(1R,2R,5S,6S,7R,11R,14R,15R)-5-hydroxy-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-9-ene-6-carbaldehyde
3&β
3&β;-hydroxy-4&β;-methyl-5&;α;-cholest-7-ene-4&α;-carbaldehyde
-carbaldehyde
-cholest-7-ene-4&α
More...

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 518.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.0±6.0 kJ/mol
Flash Point: 219.2±22.7 °C
Index of Refraction: 1.528
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.40
ACD/LogD (pH 5.5): 7.97
ACD/BCF (pH 5.5): 667618.25
ACD/KOC (pH 5.5): 513768.81
ACD/LogD (pH 7.4): 7.97
ACD/BCF (pH 7.4): 667618.25
ACD/KOC (pH 7.4): 513768.81
Polar Surface Area: 37 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 421.1±5.0 cm3

Click to predict properties on the Chemicalize site


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