ChemSpider 2D Image | (3beta,5alpha,23S)-23-Methylergostan-3-ol | C29H52O

(3β,5α,23S)-23-Methylergostan-3-ol

  • Molecular FormulaC29H52O
  • Average mass416.723 Da
  • Monoisotopic mass416.401825 Da
  • ChemSpider ID29212355

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,5α,23S)-23-Methylergostan-3-ol [German] [ACD/IUPAC Name]
(3β,5α,23S)-23-Methylergostan-3-ol [ACD/IUPAC Name]
(3β,5α,23S)-23-Méthylergostan-3-ol [French] [ACD/IUPAC Name]
Ergostan-3-ol, 23-methyl-, (3β,5α,23S)- [ACD/Index Name]
23S-methyl-5α-ergostan-3β-ol

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

Density: 0.9±0.1 g/cm3
Boiling Point: 467.5±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 195.4±12.3 °C
Index of Refraction: 1.501
Molar Refractivity: 129.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 10.91
ACD/LogD (pH 5.5): 9.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2932889.25
ACD/LogD (pH 7.4): 9.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2932889.25
Polar Surface Area: 20 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 439.9±3.0 cm3

Click to predict properties on the Chemicalize site


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