ChemSpider 2D Image | (2beta,3alpha,14xi,22E)-2-Methoxyergosta-7,22-diene-3,9-diol | C29H48O3

(2β,3α,14ξ,22E)-2-Methoxyergosta-7,22-diene-3,9-diol

  • Molecular FormulaC29H48O3
  • Average mass444.690 Da
  • Monoisotopic mass444.360352 Da
  • ChemSpider ID78441946

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(2β,3α,14ξ,22E)-2-Methoxyergosta-7,22-dien-3,9-diol [German] [ACD/IUPAC Name]
(2β,3α,14ξ,22E)-2-Methoxyergosta-7,22-diene-3,9-diol [ACD/IUPAC Name]
(2β,3α,14ξ,22E)-2-Méthoxyergosta-7,22-diène-3,9-diol [French] [ACD/IUPAC Name]
Ergosta-7,22-diene-3,9-diol, 2-methoxy-, (2β,3α,14ξ,22E)- [ACD/Index Name]
2β-Methoxy-3a,9a-dihydroxyergosta-7,22

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

Density: 1.1±0.1 g/cm3
Boiling Point: 536.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 278.4±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 132.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 54106.95
ACD/KOC (pH 5.5): 85044.09
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 54106.95
ACD/KOC (pH 7.4): 85044.09
Polar Surface Area: 50 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 421.3±5.0 cm3

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