ChemSpider 2D Image | 7-{[2-(2-Ammonio-1,3-thiazol-4-yl)-2-(methoxyimino)-1-oxidanidylethylidene]amino}-3-{[(2-methyl-6-oxido-5-oxo-5H-1,2,4-triazin-2-ium-4-id-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en e-2-carboxylate | C18H16N8O7S3

7-{[2-(2-Ammonio-1,3-thiazol-4-yl)-2-(methoxyimino)-1-oxidanidylethylidene]amino}-3-{[(2-methyl-6-oxido-5-oxo-5H-1,2,4-triazin-2-ium-4-id-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en e-2-carboxylate

  • Molecular FormulaC18H16N8O7S3
  • Average mass552.565 Da
  • Monoisotopic mass552.031494 Da
  • ChemSpider ID21232802

  • Charge - Charge

More details:

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

1,2,4-Triaziniumato(2-), 3-[[[2-carboxy-7-[[2-(2,3-dihydro-2-imino-4-thiazolyl)-1-hydroxy-2-(methoxyimino)ethylidene]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-4,5-dihydro-6-hyd roxy-2-methyl-5-oxo-, bis(inner salt), ion(2-) [ACD/Index Name]
7-{[2-(2-Ammonio-1,3-thiazol-4-yl)-2-(methoxyimino)-1-oxidanidylethylidene]amino}-3-{[(2-methyl-6-oxido-5-oxo-5H-1,2,4-triazin-2-ium-4-id-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en e-2-carboxylate [ACD/IUPAC Name]
7-{[2-(2-Ammonio-1,3-thiazol-4-yl)-2-(méthoxyimino)-1-oxydanidyléthylidène]amino}-3-{[(2-méthyl-5-oxo-6-oxydo-5H-1,2,4-triazin-2-ium-4-id-3-yl)sulfanyl]méthyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-èn e-2-carboxylate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 8
#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: 286 Å2
Polarizability:
Surface Tension:
Molar Volume:

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