ChemSpider 2D Image | 2-{2-[(2-Amino-2-carboxyethyl)sulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethanaminium | C12H21N4O5S

2-{2-[(2-Amino-2-carboxyethyl)sulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethanaminium

  • Molecular FormulaC12H21N4O5S
  • Average mass333.383 Da
  • Monoisotopic mass333.122711 Da
  • ChemSpider ID129307510

  • Charge - Charge

More details:

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

1H-Imidazole-4-ethanaminium, 2-[(2-amino-2-carboxyethyl)sulfinyl]-α-carboxy-N,N,N-trimethyl- [ACD/Index Name]
2-{2-[(2-Amino-2-carboxyethyl)sulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethanaminium [German] [ACD/IUPAC Name]
2-{2-[(2-Amino-2-carboxyethyl)sulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethanaminium [ACD/IUPAC Name]
2-{2-[(2-Amino-2-carboxyéthyl)sulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-triméthyléthanaminium [French] [ACD/IUPAC Name]
C20994
S-(hercyn-2-yl)-L-cysteine S-oxide

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: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -5.78
ACD/LogD (pH 5.5): -5.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability:
Surface Tension:
Molar Volume:

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