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Search term: CYMOQRVLVAJWLY (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycyl-N-[2-(1H-imidazol-5-yl)ethyl]glycinamide | C33H53N5O6

N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycyl-N-[2-(1H-imidazol-5-yl)ethyl]glycinamide

  • Molecular FormulaC33H53N5O6
  • Average mass615.804 Da
  • Monoisotopic mass615.399597 Da
  • ChemSpider ID112746
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

Glycinamide, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl-N-[2-(1H-imidazol-5-yl)ethyl]- [ACD/Index Name]
N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycyl-N-[2-(1H-imidazol-5-yl)ethyl]glycinamid [German] [ACD/IUPAC Name]
N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycyl-N-[2-(1H-imidazol-5-yl)ethyl]glycinamide [ACD/IUPAC Name]
N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycyl-N-[2-(1H-imidazol-5-yl)éthyl]glycinamide [French] [ACD/IUPAC Name]
98584-68-0 [RN]
C-(Gly)2-H
Cholyldiglycylhistamine
Glycinamide, N-((3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl)glycyl-N-(2-(1H-imidazol-4-yl)ethyl)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 957.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.0±3.0 kJ/mol
Flash Point: 532.6±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 165.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 35.49
Polar Surface Area: 177 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 499.3±3.0 cm3

Click to predict properties on the Chemicalize site






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