ChemSpider 2D Image | (5alpha,17beta,25xi)-20-Hydroxy-3-methylcevan-6-one | C28H45NO2

(5α,17β,25ξ)-20-Hydroxy-3-methylcevan-6-one

  • Molecular FormulaC28H45NO2
  • Average mass427.662 Da
  • Monoisotopic mass427.345032 Da
  • ChemSpider ID81422419

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(5α,17β,25ξ)-20-Hydroxy-3-methylcevan-6-on [German] [ACD/IUPAC Name]
(5α,17β,25ξ)-20-Hydroxy-3-methylcevan-6-one [ACD/IUPAC Name]
(5α,17β,25ξ)-20-Hydroxy-3-méthylcévan-6-one [French] [ACD/IUPAC Name]
Cevan-6-one, 20-hydroxy-3-methyl-, (5α,17β,25ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 538.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.8±6.0 kJ/mol
Flash Point: 279.7±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 14.66
ACD/KOC (pH 5.5): 32.33
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 140.10
ACD/KOC (pH 7.4): 309.01
Polar Surface Area: 41 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 381.8±5.0 cm3

Click to predict properties on the Chemicalize site


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