ChemSpider 2D Image | (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid | C27H46O4

(25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid

  • Molecular FormulaC27H46O4
  • Average mass434.652 Da
  • Monoisotopic mass434.339600 Da
  • ChemSpider ID21865553
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid
(3α,5β,7α,25R)-3,7-Dihydroxycholestan-26-oic acid [ACD/IUPAC Name]
(3α,5β,7α,25R)-3,7-Dihydroxycholestan-26-säure [German] [ACD/IUPAC Name]
Acide (3α,5β,7α,25R)-3,7-dihydroxycholestan-26-oïque [French] [ACD/IUPAC Name]
Cholestan-26-oic acid, 3,7-dihydroxy-, (3α,5β,7α,25R)- [ACD/Index Name]
23740-16-1 [RN]
7783-03-1 [RN]
PUBCHEM_24755560

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

Density: 1.1±0.1 g/cm3
Boiling Point: 574.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.8±6.0 kJ/mol
Flash Point: 315.1±19.7 °C
Index of Refraction: 1.533
Molar Refractivity: 123.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 398.30
ACD/KOC (pH 5.5): 1525.38
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 6.43
ACD/KOC (pH 7.4): 24.63
Polar Surface Area: 78 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 397.8±3.0 cm3

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