Found 1 result

Search term: MF = 'C_{24}H_{37}D_{3}O_{6}'

ChemSpider 2D Image | (3alpha,5beta,6beta,7beta,12alpha)-3,6,7,12-Tetrahydroxy(11,11,12-~2~H_3_)cholan-24-oic acid | C24H37D3O6

(3α,5β,6β,7β,12α)-3,6,7,12-Tetrahydroxy(11,11,12-2H3)cholan-24-oic acid

  • Molecular FormulaC24H37D3O6
  • Average mass427.589 Da
  • Monoisotopic mass427.301331 Da
  • ChemSpider ID58784468
  • 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,6β,7β,12α)-3,6,7,12-Tetrahydroxy(11,11,12-2H3)cholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,6β,7β,12α)-3,6,7,12-Tetrahydroxy(11,11,12-2H3)cholan-24-säure [German] [ACD/IUPAC Name]
Acide (3α,5β,6β,7β,12α)-3,6,7,12-tétrahydroxy(11,11,12-2H3)cholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic-11,11,12-d3 acid, 3,6,7,12-tetrahydroxy-, (3α,5β,6β,7β,12α)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 602.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 332.2±28.0 °C
Index of Refraction: 1.574
Molar Refractivity: 112.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 23.14
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 341.8±3.0 cm3

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