ChemSpider 2D Image | (6S,7S)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-[(5,6-dihydroxy-2-methyl-1,3-dihydro-2H-isoindolium-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2 -ene-2-carboxylate | C26H28N6O9S2

(6S,7S)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-[(5,6-dihydroxy-2-methyl-1,3-dihydro-2H-isoindolium-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2 -ene-2-carboxylate

  • Molecular FormulaC26H28N6O9S2
  • Average mass632.665 Da
  • Monoisotopic mass632.135925 Da
  • ChemSpider ID7851473

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,7S)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-[(5,6-dihydroxy-2-methyl-1,3-dihydro-2H-isoindolium-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2 -en-2-carboxylat [German] [ACD/IUPAC Name]
(6S,7S)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-[(5,6-dihydroxy-2-methyl-1,3-dihydro-2H-isoindolium-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2 -ene-2-carboxylate [ACD/IUPAC Name]
(6S,7S)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acétyl]amino}-3-[(5,6-dihydroxy-2-méthyl-1,3-dihydro-2H-isoindolium-2-yl)méthyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2 -ène-2-carboxylate [French] [ACD/IUPAC Name]
1H-Isoindolium, 2-[[(6S,7S)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-2,3-dihydro-5,6-dihyd roxy-2-methyl-, inner salt [ACD/Index Name]
105358-77-8 [RN]
1H-ISOINDOLIUM,2-[[(6R,7R)-7-[[(2Z)-(2-AMINO-4-THIAZOLYL)[(1-CARBOXY-1-METHYLETHOXY)IMINO]ACETYL]AMINO]-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-EN-3-YL]METHYL]-2,3-DIHYDRO-5,6-DIHYDROXY-2-METHYL-,INNER SALT (9CI)
7-(2-(2-Aminothiazol-4-yl)-2-(1- carboxy-1-methylethoxyimino)acetamido)-3-(5,6-dihydroxy-2-methyl-2-isoindolium)methyl-3-cephem-4-carboxylate
L-658,310

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

BO 1236 [DBID]
BO-1236 [DBID]
L 658310 [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: 15
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.11
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 281 Å2
Polarizability:
Surface Tension:
Molar Volume:

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