ChemSpider 2D Image | Camphoratin I | C28H44O2

Camphoratin I

  • Molecular FormulaC28H44O2
  • Average mass412.648 Da
  • Monoisotopic mass412.334137 Da
  • ChemSpider ID26376388

  • 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

(5α,22E,25S)-26-Hydroxyergosta-7,22-dien-3-on [German] [ACD/IUPAC Name]
(5α,22E,25S)-26-Hydroxyergosta-7,22-dien-3-one [ACD/IUPAC Name]
(5α,22E,25S)-26-Hydroxyergosta-7,22-dién-3-one [French] [ACD/IUPAC Name]
Camphoratin I
Ergosta-7,22-dien-3-one, 26-hydroxy-, (5α,22E,25S)- [ACD/Index Name]
(25S)-26-hydroxyergosta-7,22-dien-3-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 531.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 224.2±22.7 °C
Index of Refraction: 1.539
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 54845.62
ACD/KOC (pH 5.5): 85873.54
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 54845.62
ACD/KOC (pH 7.4): 85873.54
Polar Surface Area: 37 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 397.7±5.0 cm3

Click to predict properties on the Chemicalize site


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