ChemSpider 2D Image | 4-(2-Amino-2-carboxylatoethyl)-2-[4-amino-4-oxo-3-(trimethylammonio)butyl]-1-(beta-D-arabinofuranosyl)-1H-imidazole | C18H31N5O7

4-(2-Amino-2-carboxylatoethyl)-2-[4-amino-4-oxo-3-(trimethylammonio)butyl]-1-(β-D-arabinofuranosyl)-1H-imidazole

  • Molecular FormulaC18H31N5O7
  • Average mass429.468 Da
  • Monoisotopic mass429.222351 Da
  • ChemSpider ID25995650

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

4-(2-Amino-2-carboxylatoethyl)-2-[4-amino-4-oxo-3-(trimethylammonio)butyl]-1-(β-D-arabinofuranosyl)-1H-imidazol [German] [ACD/IUPAC Name]
4-(2-Amino-2-carboxylatoethyl)-2-[4-amino-4-oxo-3-(trimethylammonio)butyl]-1-(β-D-arabinofuranosyl)-1H-imidazole [ACD/IUPAC Name]
4-(2-Amino-2-carboxylatoéthyl)-2-[4-amino-4-oxo-3-(triméthylammonio)butyl]-1-(β-D-arabinofuranosyl)-1H-imidazole [French] [ACD/IUPAC Name]
Histidine, 2-[4-amino-4-oxo-3-(trimethylammonio)butyl]-1-β-D-arabinofuranosyl-, inner salt [ACD/Index Name]
2-amino-3-[2-(4-amino-4-oxo-3-trimethylazaniumylbutyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanoate

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: 12
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -6.53
ACD/LogD (pH 5.5): -7.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability:
Surface Tension:
Molar Volume:

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