Found 6 results

Search term: GWOSBUGZGFVDDS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (13xi)-Cholest-4-ene-3,6-dione | C27H42O2

(13ξ)-Cholest-4-ene-3,6-dione

  • Molecular FormulaC27H42O2
  • Average mass398.621 Da
  • Monoisotopic mass398.318481 Da
  • ChemSpider ID58818440

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(13ξ)-Cholest-4-en-3,6-dion [German] [ACD/IUPAC Name]
(13ξ)-Cholest-4-ene-3,6-dione [ACD/IUPAC Name]
(13ξ)-Cholest-4-ène-3,6-dione [French] [ACD/IUPAC Name]
Cholest-4-ene-3,6-dione, (13ξ)- [ACD/Index Name]
984-84-9 [RN]
cholest-4-en-3,6-dione

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

Density: 1.0±0.1 g/cm3
Boiling Point: 503.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 186.1±18.8 °C
Index of Refraction: 1.525
Molar Refractivity: 118.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 57300.91
ACD/KOC (pH 5.5): 88608.12
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 57300.91
ACD/KOC (pH 7.4): 88608.12
Polar Surface Area: 34 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 39.1±5.0 dyne/cm
Molar Volume: 387.2±5.0 cm3

Click to predict properties on the Chemicalize site


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