ChemSpider 2D Image | Ethyl 6-{5-[(carbamimidoylsulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-hydroxyhexanoate | C13H22N4O4S

Ethyl 6-{5-[(carbamimidoylsulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-hydroxyhexanoate

  • Molecular FormulaC13H22N4O4S
  • Average mass330.403 Da
  • Monoisotopic mass330.136169 Da
  • ChemSpider ID21591724

More details:

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

1H-Imidazole-4-hexanoic acid, 5-[[(aminoiminomethyl)thio]methyl]-2,3-dihydro-ε-hydroxy-2-oxo-, ethyl ester [ACD/Index Name]
6-{5-[(Carbamimidoylsulfanyl)méthyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-hydroxyhexanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{5-[(carbamimidoylsulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-hydroxyhexanoate [ACD/IUPAC Name]
Ethyl-6-{5-[(carbamimidoylsulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-hydroxyhexanoat [German] [ACD/IUPAC Name]
6-(5-Carbamimidoylsulfanylmethyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-hydroxy-hexanoic acid ethyl ester
MFCD03246080

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 81.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.73
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.38
Polar Surface Area: 163 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 228.4±7.0 cm3

Click to predict properties on the Chemicalize site


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