ChemSpider 2D Image | 3-{(1E)-3-[(2-Amino-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxy late | C20H25FN8O6S2

3-{(1E)-3-[(2-Amino-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxy late

  • Molecular FormulaC20H25FN8O6S2
  • Average mass556.591 Da
  • Monoisotopic mass556.132263 Da
  • ChemSpider ID4904596

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Propen-1-aminium, N-(2-amino-2-oxoethyl)-3-[7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-N-ethyl-N-m ethyl-, inner salt, (2E)- [ACD/Index Name]
3-{(1E)-3-[(2-Amino-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluormethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxyla t [German] [ACD/IUPAC Name]
3-{(1E)-3-[(2-Amino-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxy late [ACD/IUPAC Name]
3-{(1E)-3-[(2-Amino-2-oxoéthyl)(éthyl)méthylammonio]-1-propén-1-yl}-7-({(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluorométhoxy)imino]acétyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxy late [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: 14
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -5.30
ACD/LogD (pH 5.5): -4.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 260 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement