ChemSpider 2D Image | 7-({[2-(Ammoniomethyl)phenyl]acetyl}amino)-3-({[1-(carboxylatomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C20H20N7O6S2

7-({[2-(Ammoniomethyl)phenyl]acetyl}amino)-3-({[1-(carboxylatomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC20H20N7O6S2
  • Average mass518.547 Da
  • Monoisotopic mass518.092224 Da
  • ChemSpider ID21433588

  • 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-(aminomethyl)phenyl]acetyl]amino]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, inner salt, ion(1-) [ACD/Index Name]
7-({[2-(Ammoniomethyl)phenyl]acetyl}amino)-3-({[1-(carboxylatomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
7-({[2-(Ammoniomethyl)phenyl]acetyl}amino)-3-({[1-(carboxylatomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
7-({2-[2-(Ammoniométhyl)phényl]acétyl}amino)-3-({[1-(carboxylatométhyl)-1H-tétrazol-5-yl]sulfanyl}méthyl)-8-oxo-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.60
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability:
Surface Tension:
Molar Volume:

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