ChemSpider 2D Image | cholane-24-peroxoato, 3,7,12-trihydroxy-, ion(1-), (3alpha,5beta,7alpha,8xi,12alpha)- | C24H39O6

cholane-24-peroxoato, 3,7,12-trihydroxy-, ion(1-), (3α,5β,7α,8ξ,12α)-

  • Molecular FormulaC24H39O6
  • Average mass423.563 Da
  • Monoisotopic mass423.275208 Da
  • ChemSpider ID23254533

  • Charge - Charge

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,5β,7α,8ξ,12α)-24-(Dioxidan-2-id-1-yl)-3,7,12-trihydroxycholan-24-on [German] [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-24-(Dioxidan-2-id-1-yl)-3,7,12-trihydroxycholan-24-one [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-24-(Dioxydan-2-id-1-yl)-3,7,12-trihydroxycholan-24-one [French] [ACD/IUPAC Name]
cholane-24-peroxoato, 3,7,12-trihydroxy-, ion(1-), (3α,5β,7α,8ξ,12α)-
Cholane-24-peroxoic acid, 3,7,12-trihydroxy-, ion(1-), (3α,5β,7α,8ξ,12α)- [ACD/Index Name]
percholate

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

Density:
Boiling Point: 582.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 192.9±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.48
ACD/KOC (pH 5.5): 693.57
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 49.79
ACD/KOC (pH 7.4): 527.34
Polar Surface Area: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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