ChemSpider 2D Image | 7-{[(2E)-2-[(Carboxymethoxy)amino]-2-(3H-pyrazol-3-ylidene)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C17H17N9O7S2

7-{[(2E)-2-[(Carboxymethoxy)amino]-2-(3H-pyrazol-3-ylidene)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC17H17N9O7S2
  • Average mass523.503 Da
  • Monoisotopic mass523.069214 Da
  • ChemSpider ID8228040

  • Double-bond stereo - Double-bond stereo

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-[[(2E)-2-[(carboxymethoxy)amino]-1-oxo-2-(3H-pyrazol-3-ylidene)ethyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo- [ACD/Index Name]
7-{[(2E)-2-[(Carboxymethoxy)amino]-2-(3H-pyrazol-3-yliden)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
7-{[(2E)-2-[(Carboxymethoxy)amino]-2-(3H-pyrazol-3-ylidene)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide 7-{[(2E)-2-[(carboxyméthoxy)amino]-2-(3H-pyrazol-3-ylidène)acétyl]amino}-3-{[(1-méthyl-1H-tétrazol-5-yl)sulfanyl]méthyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.887
Molar Refractivity: 121.9±0.5 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -5.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 264 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 102.8±7.0 dyne/cm
Molar Volume: 264.7±7.0 cm3

Click to predict properties on the Chemicalize site


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