ChemSpider 2D Image | (2R)-2-Amino-3-{2-[(3S)-4-amino-4-oxo-3-(trimethylammonio)butyl]-1H-imidazol-4-yl}propanoate | C13H23N5O3

(2R)-2-Amino-3-{2-[(3S)-4-amino-4-oxo-3-(trimethylammonio)butyl]-1H-imidazol-4-yl}propanoate

  • Molecular FormulaC13H23N5O3
  • Average mass297.353 Da
  • Monoisotopic mass297.180084 Da
  • ChemSpider ID24531965

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-Amino-3-{2-[(3S)-4-amino-4-oxo-3-(trimethylammonio)butyl]-1H-imidazol-4-yl}propanoat [German] [ACD/IUPAC Name]
(2R)-2-Amino-3-{2-[(3S)-4-amino-4-oxo-3-(trimethylammonio)butyl]-1H-imidazol-4-yl}propanoate [ACD/IUPAC Name]
(2R)-2-Amino-3-{2-[(3S)-4-amino-4-oxo-3-(triméthylammonio)butyl]-1H-imidazol-4-yl}propanoate [French] [ACD/IUPAC Name]
(2R)-2-Amino-3-{2-[(3S)-4-amino-4-oxo-3-(trimethylammonio)butyl]-1H-imidazol-5-yl}propanoate
1H-Imidazole-2-propanaminium, α-(aminocarbonyl)-5-[(2R)-2-amino-2-carboxyethyl]-N,N,N-trimethyl-, inner salt, (αS)- [ACD/Index Name]
(2R)-2-Amino-3-{2-[(3S)-4-amino-4-oxo-3-(trimethylammonio)butyl]-1H-imidazol-5-yl}propionate

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: 8
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -6.02
ACD/LogD (pH 5.5): -6.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability:
Surface Tension:
Molar Volume:

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