ChemSpider 2D Image | 4-[2-[[(6R,7R)-2-Carboxy-7-[[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methylpyridinium | C22H22N8O8PS4

4-[2-[[(6R,7R)-2-Carboxy-7-[[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methylpyridinium

  • Molecular FormulaC22H22N8O8PS4
  • Average mass685.692 Da
  • Monoisotopic mass685.017578 Da
  • ChemSpider ID8028693

  • Charge - Charge

    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

4-(2-{[(6R,7R)-2-Carboxy-7-({(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-methylpyridinium [ACD/IUPAC Name]
4-(2-{[(6R,7R)-2-Carboxy-7-({(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-methylpyridinium [German] [ACD/IUPAC Name]
4-(2-{[(6R,7R)-2-Carboxy-7-({(2Z)-2-(éthoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acétyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-én-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-méthylpyridinium [French] [ACD/IUPAC Name]
4-[2-[[(6R,7R)-2-Carboxy-7-[[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methylpyridinium
402741-13-3 [RN]
Pyridinium, 4-[2-[[(6R,7R)-2-carboxy-7-[[(2Z)-2-(ethoxyimino)-1-oxo-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl- [ACD/Index Name]
4-(2-{[(6R,7R)-2-carboxy-7-{[(2Z)-2-(ethoxyimino)-1-hydroxy-2-[5-(phosphonoimino)-2,5-dihydro-1,2,4-thiadiazol-3-yl]ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl}-1,3-thiazo
4-(2-{[(6R,7R)-2-carboxy-7-{[(2Z)-2-(ethoxyimino)-1-hydroxy-2-[5-(phosphonoimino)-2H-1,2,4-thiadiazol-3-yl]ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-methylpyridin-1-ium
Ceftaroline fosamil anhydrous base

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: 16
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.84
ACD/LogD (pH 5.5): -4.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 337 Å2
Polarizability:
Surface Tension:
Molar Volume:

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