ChemSpider 2D Image | (3beta,23R)-23-Methylergosta-5,20-diene-3,17-diol | C29H48O2

(3β,23R)-23-Methylergosta-5,20-diene-3,17-diol

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID35516805

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,23R)-23-Methylergosta-5,20-dien-3,17-diol [German] [ACD/IUPAC Name]
(3β,23R)-23-Methylergosta-5,20-diene-3,17-diol [ACD/IUPAC Name]
(3β,23R)-23-Méthylergosta-5,20-diène-3,17-diol [French] [ACD/IUPAC Name]
Ergosta-5,20-diene-3,17-diol, 23-methyl-, (3β,23R)- [ACD/Index Name]
23R-Methyl-ergosta-5,20(21)-diene-3β,17α-diol
Klyflaccisteroid A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 527.8±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: 215.6±24.7 °C
Index of Refraction: 1.538
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 7.43
ACD/BCF (pH 5.5): 260243.00
ACD/KOC (pH 5.5): 261759.80
ACD/LogD (pH 7.4): 7.43
ACD/BCF (pH 7.4): 260243.00
ACD/KOC (pH 7.4): 261759.80
Polar Surface Area: 40 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 416.5±5.0 cm3

Click to predict properties on the Chemicalize site


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