ChemSpider 2D Image | (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-2-carboxy-3-{[(1-methyl-4-pyridiniumyl)sulfanyl]methyl}-8-oxo-5-thionia-1-azabicyclo[4.2.0]oct-2-en-5-ol
ate | C23H25N6O8S3

(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-2-carboxy-3-{[(1-methyl-4-pyridiniumyl)sulfanyl]methyl}-8-oxo-5-thionia-1-azabicyclo[4.2.0]oct-2-en-5-ol ate

  • Molecular FormulaC23H25N6O8S3
  • Average mass609.674 Da
  • Monoisotopic mass609.089050 Da
  • ChemSpider ID34995301
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-2-carboxy-3-{[(1-methyl-4-pyridiniumyl)sulfanyl]methyl}-8-oxo-5-thionia-1-azabicyclo[4.2.0]oct-2-en-5-ol at [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-2-carboxy-3-{[(1-methyl-4-pyridiniumyl)sulfanyl]methyl}-8-oxo-5-thionia-1-azabicyclo[4.2.0]oct-2-en-5-ol ate [ACD/IUPAC Name]
(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acétyl]amino}-2-carboxy-3-{[(1-méthyl-4-pyridiniumyl)sulfanyl]méthyl}-8-oxo-5-thionia-1-azabicyclo[4.2.0]oct-2-én-5-ol ate [French] [ACD/IUPAC Name]
5-Thionia-1-azabicyclo[4.2.0]oct-2-ene, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]-1-oxoethyl]amino]-2-carboxy-5-hydroxy-3-[[(1-methyl-4-pyridiniumyl)thio]methyl]-8-oxo-, inn er salt, (6R,7R)- [ACD/Index Name]
745749-33-1 [RN]
CEFMEPIDIUM
UNII-XLC35939WJ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 6
#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: 265 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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