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-[(3-hydroxy-4-oxo-1(4H)-pyridinyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C22H22N6O9S2

(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-[(3-hydroxy-4-oxo-1(4H)-pyridinyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC22H22N6O9S2
  • Average mass578.575 Da
  • Monoisotopic mass578.088989 Da
  • ChemSpider ID7852667

  • 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-[(3-hydroxy-4-oxo-1(4H)-pyridinyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [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-[(3-hydroxy-4-oxo-1(4H)-pyridinyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]-1-oxoethyl]amino]-3-[(3-hydroxy-4-oxo-1(4H)-pyridinyl)methyl]-8-oxo-, (6R,7R )- [ACD/Index Name]
Acide (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acétyl]amino}-3-[(3-hydroxy-4-oxo-1(4H)-pyridinyl)méthyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxyliq ue [French] [ACD/IUPAC Name]
128236-34-0 [RN]
7-(2-(2-aminothiazole-4-yl)-2-(1-carboxy-1-methyl)ethoxyiminoacetamido)-3-(3-hydroxy-4-pyridon-1-yl)
7-(2-(2-Aminothiazole-4-yl)-2-(1-carboxy-1-methyl)ethoxyiminoacetamido)-3-(3-hydroxy-4-pyridon-1-yl)methyl-3-cephem-4-carboxylic acid
7-Atpcc

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.793
Molar Refractivity: 136.7±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -4.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 279 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 86.8±7.0 dyne/cm
Molar Volume: 321.9±7.0 cm3

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