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Search term: PFYSRSDOSXYIFG-JKYVJSSTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3beta,5alpha,6beta,25R)-Cholestane-3,5,6,26-tetrol | C27H48O4

(3β,5α,6β,25R)-Cholestane-3,5,6,26-tetrol

  • Molecular FormulaC27H48O4
  • Average mass436.668 Da
  • Monoisotopic mass436.355255 Da
  • ChemSpider ID113385109

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,5α,6β,25R)-Cholestan-3,5,6,26-tetrol [German] [ACD/IUPAC Name]
(3β,5α,6β,25R)-Cholestane-3,5,6,26-tetrol [ACD/IUPAC Name]
(3β,5α,6β,25R)-Cholestane-3,5,6,26-tétrol [French] [ACD/IUPAC Name]
Cholestane-3,5,6,26-tetrol, (3β,5α,6β,25R)- [ACD/Index Name]
Cholestane-3b,5a,6b,(25R)26-tetrol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 552.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.7±6.0 kJ/mol
Flash Point: 229.9±21.9 °C
Index of Refraction: 1.550
Molar Refractivity: 125.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1238.82
ACD/KOC (pH 5.5): 5696.05
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1238.82
ACD/KOC (pH 7.4): 5696.05
Polar Surface Area: 81 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 392.4±3.0 cm3

Click to predict properties on the Chemicalize site


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