ChemSpider 2D Image | (3beta,5beta,7alpha,12alpha,14xi)-3-Azido-7,12-dihydroxy-N-[2-(2-iodo-1H-imidazol-5-yl)ethyl]cholan-24-amide | C29H45IN6O3

(3β,5β,7α,12α,14ξ)-3-Azido-7,12-dihydroxy-N-[2-(2-iodo-1H-imidazol-5-yl)ethyl]cholan-24-amide

  • Molecular FormulaC29H45IN6O3
  • Average mass652.610 Da
  • Monoisotopic mass652.259766 Da
  • ChemSpider ID111240

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3β,5β,7α,12α,14ξ)-3-Azido-7,12-dihydroxy-N-[2-(2-iod-1H-imidazol-5-yl)ethyl]cholan-24-amid [German] [ACD/IUPAC Name]
(3β,5β,7α,12α,14ξ)-3-Azido-7,12-dihydroxy-N-[2-(2-iodo-1H-imidazol-5-yl)ethyl]cholan-24-amide [ACD/IUPAC Name]
(3β,5β,7α,12α,14ξ)-3-Azido-7,12-dihydroxy-N-[2-(2-iodo-1H-imidazol-5-yl)éthyl]cholan-24-amide [French] [ACD/IUPAC Name]
Cholan-24-amide, 3-azido-7,12-dihydroxy-N-[2-(2-iodo-1H-imidazol-5-yl)ethyl]-, (3β,5β,7α,12α,14ξ)- [ACD/Index Name]
3 SS-AZIDOCHOLYL-2-IODOHISTAMINE
3β-Azidocholyl-2-iodohistamine
92921-04-5 [RN]
AZCH
Cholan-24-amide, 3-azido-7,12-dihydroxy-N-(2-(2-(iodo-125I)-1H-imidazol-4-yl)ethyl)-, (3β,5β,7α,12α)-
Iodo-3β-azidocholylhistamine

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 287.33
ACD/KOC (pH 5.5): 1828.29
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 393.08
ACD/KOC (pH 7.4): 2501.12
Polar Surface Area: 111 Å2
Polarizability:
Surface Tension:
Molar Volume:

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