ChemSpider 2D Image | 3-{3-[(2-Ammonio-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(5-ammonio-1,2,4-thiadiazol-3-yl)[(fluoromethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C20H27FN8O6S2

3-{3-[(2-Ammonio-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(5-ammonio-1,2,4-thiadiazol-3-yl)[(fluoromethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC20H27FN8O6S2
  • Average mass558.606 Da
  • Monoisotopic mass558.146790 Da
  • ChemSpider ID21235225
  • Charge - Charge


More details:






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

2-Propen-1-aminium, 3-[2-carboxy-7-[[2-(2,5-dihydro-5-imino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]-1-hydroxyethylidene]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-N-ethyl-N-(2-hydro xy-2-iminoethyl)-N-methyl-, inner salt, conjugate diacid [ACD/Index Name]
3-{3-[(2-Ammonio-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(5-ammonio-1,2,4-thiadiazol-3-yl)[(fluormethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
3-{3-[(2-Ammonio-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(5-ammonio-1,2,4-thiadiazol-3-yl)[(fluoromethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
3-{3-[(2-Ammonio-2-oxoéthyl)(éthyl)méthylammonio]-1-propén-1-yl}-7-({2-(5-ammonio-1,2,4-thiadiazol-3-yl)-2-[(fluorométhoxy)imino]acétyl}amino)-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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -5.27
ACD/LogD (pH 5.5): -5.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 261 Å2
Polarizability:
Surface Tension:
Molar Volume:

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