ChemSpider 2D Image | (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al | C27H46O4

(25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-al

  • Molecular FormulaC27H46O4
  • Average mass434.652 Da
  • Monoisotopic mass434.339600 Da
  • ChemSpider ID21865613

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-al
(3α,5β,7α,12α,25R)-3,7,12-Trihydroxycholestan-26-al [ACD/IUPAC Name]
(3α,5β,7α,12α,25R)-3,7,12-Trihydroxycholestan-26-al [German] [ACD/IUPAC Name]
(3α,5β,7α,12α,25R)-3,7,12-Trihydroxycholestan-26-al [French] [ACD/IUPAC Name]
Cholestan-26-al, 3,7,12-trihydroxy-, (3α,5β,7α,12α,25R)- [ACD/Index Name]
(25<i>R</i>)-3&α;,7&amp;α;,12&α;-trihydroxy-5&β;-cholestan-26-al
3-&α;,7-&α;,12-&α;-trihydroxy-5-&β;-cholestan-26-al
3α,7α,12α-trihydroxy-5β-cholestan-26-al
5620906 [Beilstein]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 311.7±26.6 °C
Index of Refraction: 1.535
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 336.45
ACD/KOC (pH 5.5): 2240.67
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 336.45
ACD/KOC (pH 7.4): 2240.67
Polar Surface Area: 78 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 397.4±3.0 cm3

Click to predict properties on the Chemicalize site


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