ChemSpider 2D Image | (2E)-N-(2-Amino-2-oxoethyl)-3-[(6R,7R)-7-({(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl}amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-N-ethyl-N-methyl-2-prop
en-1-aminium | C20H26FN8O6S2

(2E)-N-(2-Amino-2-oxoethyl)-3-[(6R,7R)-7-({(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl}amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-N-ethyl-N-methyl-2-prop en-1-aminium

  • Molecular FormulaC20H26FN8O6S2
  • Average mass557.598 Da
  • Monoisotopic mass557.139526 Da
  • ChemSpider ID5257309
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(2E)-N-(2-Amino-2-oxoethyl)-3-[(6R,7R)-7-({(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluormethoxy)imino]acetyl}amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-N-ethyl-N-methyl-2-prope n-1-aminium [German] [ACD/IUPAC Name]
(2E)-N-(2-Amino-2-oxoethyl)-3-[(6R,7R)-7-({(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl}amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-N-ethyl-N-methyl-2-prop en-1-aminium [ACD/IUPAC Name]
(2E)-N-(2-Amino-2-oxoéthyl)-3-[(6R,7R)-7-({(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluorométhoxy)imino]acétyl}amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-én-3-yl]-N-éthyl-N-méthyl-2-prop én-1-aminium [French] [ACD/IUPAC Name]
2-Propen-1-aminium, N-(2-amino-2-oxoethyl)-3-[(6R,7R)-7-[[(2E)-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-e thyl-N-methyl-, (2E)- [ACD/Index 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: -5.30
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: 257 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






Advertisement