ChemSpider 2D Image | (6S,7S)-7-{[(2E)-2-(2-Amino-5-chloro-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(2H-imidazo[1,5-a]pyridin-4-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C21H18ClN7O5S2

(6S,7S)-7-{[(2E)-2-(2-Amino-5-chloro-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(2H-imidazo[1,5-a]pyridin-4-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC21H18ClN7O5S2
  • Average mass547.995 Da
  • Monoisotopic mass547.049927 Da
  • ChemSpider ID7851344

  • 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

(6S,7S)-7-{[(2E)-2-(2-Amino-5-chlor-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(2H-imidazo[1,5-a]pyridin-4-ium-2-ylmethyl)-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-5-chloro-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(2H-imidazo[1,5-a]pyridin-4-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(6S,7S)-7-{[(2E)-2-(2-Amino-5-chloro-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-3-(2H-imidazo[1,5-a]pyridin-4-ium-2-ylméthyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
2H-Imidazo[1,5-a]pyridin-4-ium, 2-[[(6S,7S)-7-[[(2E)-2-(2-amino-5-chloro-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt [ACD/Index Name]
141912-84-7 [RN]
7-(2-(2-amino-5-chlorothiazol-4-yl)-2-methoxyiminoacetamido)-3-(imidazo(1,5-a)-pyridinium-1-yl)methy
7-(2-(2-AMINO-5-CHLOROTHIAZOL-4-YL)-2-METHOXYIMINOACETAMIDO)-3-(IMIDAZO[1,5-A]-PYRIDINIUM-1-YL)METHYL- 3-CEPHEM-4-CARBOXYLATE
7-Cmicc
Imidazo(1,5-a)pyridinium, 2-((7-(((2-amino-5-chloro-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, hydroxide, inner salt, (6R-(6α,7β(Z)))-

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: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#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: 213 Å2
Polarizability:
Surface Tension:
Molar Volume:

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