ChemSpider 2D Image | (3alpha,8alpha,10alpha,13alpha,22E)-Ergosta-5,22-dien-3-ol | C28H46O

(3α,8α,10α,13α,22E)-Ergosta-5,22-dien-3-ol

  • Molecular FormulaC28H46O
  • Average mass398.664 Da
  • Monoisotopic mass398.354858 Da
  • ChemSpider ID111310158

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,8α,10α,13α,22E)-Ergosta-5,22-dien-3-ol [German] [ACD/IUPAC Name]
(3α,8α,10α,13α,22E)-Ergosta-5,22-dien-3-ol [ACD/IUPAC Name]
(3α,8α,10α,13α,22E)-Ergosta-5,22-dién-3-ol [French] [ACD/IUPAC Name]
Ergosta-5,22-dien-3-ol, (3α,8α,10α,13α,22E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 488.7±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.0±6.0 kJ/mol
Flash Point: 213.3±12.4 °C
Index of Refraction: 1.532
Molar Refractivity: 124.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.68
ACD/LogD (pH 5.5): 8.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 908817.19
ACD/LogD (pH 7.4): 8.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 908817.19
Polar Surface Area: 20 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 38.3±5.0 dyne/cm
Molar Volume: 401.5±5.0 cm3

Click to predict properties on the Chemicalize site


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