ChemSpider 2D Image | (6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1S)-1-carboxyethoxy]imino}acetyl]amino}-3-{[(1-ethyl-4-pyridiniumyl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C23H24N6O7S3

(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1S)-1-carboxyethoxy]imino}acetyl]amino}-3-{[(1-ethyl-4-pyridiniumyl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC23H24N6O7S3
  • Average mass592.668 Da
  • Monoisotopic mass592.086853 Da
  • ChemSpider ID7851856

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1S)-1-carboxyethoxy]imino}acetyl]amino}-3-{[(1-ethyl-4-pyridiniumyl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1S)-1-carboxyethoxy]imino}acetyl]amino}-3-{[(1-ethyl-4-pyridiniumyl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1S)-1-carboxyéthoxy]imino}acétyl]amino}-3-{[(1-éthyl-4-pyridiniumyl)sulfanyl]méthyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
Pyridinium, 4-[[[(6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[[(1S)-1-carboxyethoxy]imino]-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-1-ethyl-, inner salt [ACD/Index Name]
115369-52-3 [RN]
ME1228
Pyridinium, 4-(((7-(((2-amino-4-thiazolyl)((1-carboxyethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-ethyl-, hydroxide, inner salt, (6R-(6-α,7-β(Z(S*))))-
PYRIDINIUM,4-[[[(6R,7R)-7-[[(2Z)-(2-AMINO-4-THIAZOLYL)[[(1S)-1-CARBOXYETHOXY]IMINO]ACETYL]AMINO]-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-EN-3-YL]METHYL]THIO]-1-ETHYL-,INNER SALT

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

ME 1228 [DBID]

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: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.58
ACD/LogD (pH 5.5): -2.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 270 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement