ChemSpider 2D Image | (4S,6R,7S)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-4-methyl-3-{[(1-methyl-4-pyridiniumyl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-car boxylate | C24H26N6O8S2

(4S,6R,7S)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-4-methyl-3-{[(1-methyl-4-pyridiniumyl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-car boxylate

  • Molecular FormulaC24H26N6O8S2
  • Average mass590.629 Da
  • Monoisotopic mass590.125366 Da
  • ChemSpider ID7851302

  • 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

(4S,6R,7S)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-4-methyl-3-{[(1-methyl-4-pyridiniumyl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-en-2-carb oxylat [German] [ACD/IUPAC Name]
(4S,6R,7S)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-4-methyl-3-{[(1-methyl-4-pyridiniumyl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-car boxylate [ACD/IUPAC Name]
(4S,6R,7S)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acétyl]amino}-4-méthyl-3-{[(1-méthyl-4-pyridiniumyl)sulfanyl]méthyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ène-2-car boxylate [French] [ACD/IUPAC Name]
Pyridinium, 4-[[[(4S,6R,7S)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]-1-oxoethyl]amino]-2-carboxy-4-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-1-methyl -, inner salt [ACD/Index Name]
(4S,6R,7S)-7-[[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(2-CARBOXYPROPAN-2-YLOXYIMINO)ACETYL]AMINO]-4-METHYL-3 -[(1-METHYL (PYRIDIN-4-YL)) SULFANYLMETHYL]-8-OXO-5-OXA-1-AZABICYCLO[4.2.0] OCT-2-ENE-2-CARBOXYLATE
106036-65-1 [RN]
7-(2 (2-Aminothiazol-4-yl)-2-(1-carboxymethylethoxyimino)acetamido)-2-methyl-3-((1-methylpyridinium-4-yl)thiomethyl)-1-oxacephem-4-carboxylate
L-656,575
Ocp 19-176
Ocp 9-176
More...

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

L 656575 [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: 14
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.33
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 254 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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