ChemSpider 2D Image | 3-(6,7-Dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-(3-hydroxy-1-oxo-2-butanyl)-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylate | C15H20N4O4S

3-(6,7-Dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-(3-hydroxy-1-oxo-2-butanyl)-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylate

  • Molecular FormulaC15H20N4O4S
  • Average mass352.409 Da
  • Monoisotopic mass352.120514 Da
  • ChemSpider ID22376662

More details:

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

3-(6,7-Dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-(3-hydroxy-1-oxo-2-butanyl)-4-methyl-4,5-dihydro-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
3-(6,7-Dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-(3-hydroxy-1-oxo-2-butanyl)-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
3-(6,7-Dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-(3-hydroxy-1-oxo-2-butanyl)-4-méthyl-4,5-dihydro-1H-pyrrole-2-carboxylate [French] [ACD/IUPAC Name]
5H-Pyrazolo[1,2-a][1,2,4]triazol-4-ium, 6-[[2-carboxy-5-(1-formyl-2-hydroxypropyl)-4,5-dihydro-4-methyl-1H-pyrrol-3-yl]thio]-6,7-dihydro-, inner salt [ACD/Index Name]

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 136 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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