ChemSpider 2D Image | (3alpha,5beta,7alpha,12alpha,23R)-(26,26,26,27,27,27-~2~H_6_)Cholestane-3,7,12,23,25-pentol | C27H42D6O5

(3α,5β,7α,12α,23R)-(26,26,26,27,27,27-2H6)Cholestane-3,7,12,23,25-pentol

  • Molecular FormulaC27H42D6O5
  • Average mass458.704 Da
  • Monoisotopic mass458.387848 Da
  • ChemSpider ID107445348

  • defined stereocentres - 12 of 12 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3α,5β,7α,12α,23R)-(26,26,26,27,27,27-2H6)Cholestan-3,7,12,23,25-pentol [German] [ACD/IUPAC Name]
(3α,5β,7α,12α,23R)-(26,26,26,27,27,27-2H6)Cholestane-3,7,12,23,25-pentol [ACD/IUPAC Name]
(3α,5β,7α,12α,23R)-(26,26,26,27,27,27-2H6)Cholestane-3,7,12,23,25-pentol [French] [ACD/IUPAC Name]
Cholestane-26,26,26,27,27,27-d6-3,7,12,23,25-pentol, (3α,5β,7α,12α,23R)- [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: 617.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 105.0±6.0 kJ/mol
Flash Point: 261.4±26.1 °C
Index of Refraction: 1.554
Molar Refractivity: 126.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.85
ACD/KOC (pH 5.5): 554.68
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.85
ACD/KOC (pH 7.4): 554.68
Polar Surface Area: 101 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 395.2±3.0 cm3

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