ChemSpider 2D Image | (6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-{[ethyl(1-methylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2- ene-2-carboxylate | C26H28N8O7S3

(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-{[ethyl(1-methylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2- ene-2-carboxylate

  • Molecular FormulaC26H28N8O7S3
  • Average mass660.745 Da
  • Monoisotopic mass660.124329 Da
  • ChemSpider ID7852650

  • 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-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-{[ethyl(1-methylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]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-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-{[ethyl(1-methylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]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-{[(2-carboxy-2-propanyl)oxy]imino}acétyl]amino}-3-{[éthyl(1-méthylthiéno[2,3-d]pyrimidin-1-ium-4-yl)amino]méthyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2- ène-2-carboxylate [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidinium, 4-[[[(6R,7R)-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]ethylamino ]-1-methyl-, inner salt [ACD/Index Name]
112606-65-2 [RN]
Thieno(2,3-d)pyrimidinium, 4-(((7-(((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)ethylamino)-1-methyl-, hydroxide, inner salt, (6R-(6α,7β(Z)))-
THIENO[2,3-D]PYRIMIDINIUM,4-[[[(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]ETHYLAMINO]-1-METHYL-,INNER SALT (9CI)

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

Ici 194008 [DBID]
Ici-194008 [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: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 289 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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