ChemSpider 2D Image | (3beta,4alpha,5alpha,17xi)-4-Methylergosta-8,24(28)-dien-3-ol | C29H48O

(3β,4α,5α,17ξ)-4-Methylergosta-8,24(28)-dien-3-ol

  • Molecular FormulaC29H48O
  • Average mass412.691 Da
  • Monoisotopic mass412.370514 Da
  • ChemSpider ID25994961

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,4α,5α,17ξ)-4-Methylergosta-8,24(28)-dien-3-ol [ACD/IUPAC Name]
(3β,4α,5α,17ξ)-4-Methylergosta-8,24(28)-dien-3-ol [German] [ACD/IUPAC Name]
(3β,4α,5α,17ξ)-4-Méthylergosta-8,24(28)-dién-3-ol [French] [ACD/IUPAC Name]
Ergosta-8,24(28)-dien-3-ol, 4-methyl-, (3β,4α,5α,17ξ)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 497.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.2±6.0 kJ/mol
Flash Point: 218.4±20.7 °C
Index of Refraction: 1.526
Molar Refractivity: 128.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 10.33
ACD/LogD (pH 5.5): 9.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2960031.25
ACD/LogD (pH 7.4): 9.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2960031.25
Polar Surface Area: 20 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 418.7±5.0 cm3

Click to predict properties on the Chemicalize site


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