Found 1 result

Search term: SJZZRXMQSAXCFD-FRAMIZMOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3beta,5alpha,8xi,9xi,14xi)-3,5-Dihydroxycholestan-6-one | C27H46O3

(3β,5α,8ξ,9ξ,14ξ)-3,5-Dihydroxycholestan-6-one

  • Molecular FormulaC27H46O3
  • Average mass418.652 Da
  • Monoisotopic mass418.344696 Da
  • ChemSpider ID24823263

  • defined stereocentres - 6 of 9 defined stereocentres

More details:

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

(3β,5α,8ξ,9ξ,14ξ)-3,5-Dihydroxycholestan-6-on [German] [ACD/IUPAC Name]
(3β,5α,8ξ,9ξ,14ξ)-3,5-Dihydroxycholestan-6-one [ACD/IUPAC Name]
(3β,5α,8ξ,9ξ,14ξ)-3,5-Dihydroxycholestan-6-one [French] [ACD/IUPAC Name]
Cholestan-6-one, 3,5-dihydroxy-, (3β,5α,8ξ,9ξ,14ξ)- [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: 528.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 287.7±25.2 °C
Index of Refraction: 1.531
Molar Refractivity: 122.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 27896.79
ACD/KOC (pH 5.5): 52931.29
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27896.64
ACD/KOC (pH 7.4): 52931.00
Polar Surface Area: 58 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 394.4±3.0 cm3

Click to predict properties on the Chemicalize site


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