ChemSpider 2D Image | 7-{[2-(2-Ammonio-1,3-thiazol-4-yl)-2-(methoxyimino)-1-oxidanidylethylidene]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C16H14N7O5S4

7-{[2-(2-Ammonio-1,3-thiazol-4-yl)-2-(methoxyimino)-1-oxidanidylethylidene]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC16H14N7O5S4
  • Average mass512.587 Da
  • Monoisotopic mass511.994476 Da
  • ChemSpider ID21234364

  • Charge - Charge

More details:

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

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-(2,3-dihydro-2-imino-4-thiazolyl)-1-hydroxy-2-(methoxyimino)ethylidene]amino]-8-oxo-3-[(1,2,3-thiadiazol-5-ylthio)methyl]-, inner salt, ion (1-) [ACD/Index Name]
7-{[2-(2-Ammonio-1,3-thiazol-4-yl)-2-(methoxyimino)-1-oxidanidylethylidene]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
7-{[2-(2-Ammonio-1,3-thiazol-4-yl)-2-(méthoxyimino)-1-oxydanidyléthylidène]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)méthyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 807.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 441.9±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 285 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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