ChemSpider 2D Image | 3-epi-6-Deoxocathasterone | C28H50O2

3-epi-6-Deoxocathasterone

  • Molecular FormulaC28H50O2
  • Average mass418.695 Da
  • Monoisotopic mass418.381073 Da
  • ChemSpider ID26331604

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,5α,22S,24R)-Ergostan-3,22-diol [German] [ACD/IUPAC Name]
(3α,5α,22S,24R)-Ergostane-3,22-diol [ACD/IUPAC Name]
(3α,5α,22S,24R)-Ergostane-3,22-diol [French] [ACD/IUPAC Name]
3-epi-6-Deoxocathasterone
Ergostane-3,22-diol, (3α,5α,22S,24R)- [ACD/Index Name]
(22S,24R)-5α-ergostane-3α,22-diol
5α-campestan-3α,22S-diol

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

8522106 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 512.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 208.6±17.2 °C
Index of Refraction: 1.513
Molar Refractivity: 126.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.38
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 59821.84
ACD/KOC (pH 5.5): 91381.31
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 59821.84
ACD/KOC (pH 7.4): 91381.31
Polar Surface Area: 40 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 420.9±3.0 cm3

Click to predict properties on the Chemicalize site


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