ChemSpider 2D Image | (6R,7R)-7-({(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-{[(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridinium-4-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en e-2-carboxylate | C24H24N6O7S3

(6R,7R)-7-({(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-{[(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridinium-4-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en e-2-carboxylate

  • Molecular FormulaC24H24N6O7S3
  • Average mass604.678 Da
  • Monoisotopic mass604.086853 Da
  • ChemSpider ID7851280

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 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-[(carboxymethoxy)imino]acetyl}amino)-3-{[(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridinium-4-yl)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-[(carboxymethoxy)imino]acetyl}amino)-3-{[(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridinium-4-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en e-2-carboxylate [ACD/IUPAC Name]
(6R,7R)-7-({(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-[(carboxyméthoxy)imino]acétyl}amino)-3-{[(1-méthyl-6,7-dihydro-5H-cyclopenta[b]pyridinium-4-yl)sulfanyl]méthyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-èn e-2-carboxylate [French] [ACD/IUPAC Name]
5H-Cyclopenta[b]pyridinium, 4-[[[(6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[(carboxymethoxy)imino]-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-6,7-dihydro-1 -methyl-, inner salt [ACD/Index Name]
101233-99-2 [RN]
4-({[(6R,7R)-7-[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-[(CARBOXYMETHOXY)IMINO]ACETAMIDO]-2-CARBOXYLATO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-EN-3-YL]METHYL}SULFANYL)-1-METHYL-5H,6H,7H-CYCLOPENTA[B]PYRIDIN-1-IUM
5H-1-Pyrindinium, 4-(((7-(((2-amino-4-thiazolyl)((carboxymethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-6,7-dihydro-1-methyl-, hydroxide, inner salt, (6R-(6α,7β(Z)))-
5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((carboxymethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-α,7-β(Z)))-

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

ME 1221 [DBID]
MT 520 [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: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -2.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.59
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


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