ChemSpider 2D Image | Hydrogen [(5Z)-3-[(1E)-2-{[(6R)-2-carboxy-3-{[4-(1-methyl-4-pyridiniumyl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino}-N-ethoxy-2-oxoethanimidoyl]-1,2,4-thiadiazol-5 (2H)-ylidene]phosphoramidate | C22H21N8O8PS4

Hydrogen [(5Z)-3-[(1E)-2-{[(6R)-2-carboxy-3-{[4-(1-methyl-4-pyridiniumyl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino}-N-ethoxy-2-oxoethanimidoyl]-1,2,4-thiadiazol-5 (2H)-ylidene]phosphoramidate

  • Molecular FormulaC22H21N8O8PS4
  • Average mass684.685 Da
  • Monoisotopic mass684.010254 Da
  • ChemSpider ID68025152

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Hydrogen [(5Z)-3-[(1E)-2-{[(6R)-2-carboxy-3-{[4-(1-methyl-4-pyridiniumyl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino}-N-ethoxy-2-oxoethanimidoyl]-1,2,4-thiadiazol-5 (2H)-ylidene]phosphoramidate [ACD/IUPAC Name]
Hydrogen[(5Z)-3-[(1E)-2-{[(6R)-2-carboxy-3-{[4-(1-methyl-4-pyridiniumyl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino}-N-ethoxy-2-oxoethanimidoyl]-1,2,4-thiadiazol-5( 2H)-yliden]phosphoramidat [German] [ACD/IUPAC Name]
Hydrogéno[(5Z)-3-[(1E)-2-{[(6R)-2-carboxy-3-{[4-(1-méthyl-4-pyridiniumyl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-én-7-yl]amino}-N-éthoxy-2-oxoethanimidoyl]-1,2,4-thiadiazol-5 (2H)-ylidène]phosphoramidate [French] [ACD/IUPAC Name]
Pyridinium, 4-[2-[[(6R)-2-carboxy-7-[[(2E)-2-[(5Z)-2,5-dihydro-5-(phosphonoimino)-1,2,4-thiadiazol-3-yl]-2-(ethoxyimino)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazol yl]-1-methyl-, inner salt [ACD/Index Name]
Ceftaroline fosamil [INN] [USAN] [Wiki]
Ceftaroline Fosamil Inner salt

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: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.29
ACD/LogD (pH 5.5): -4.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 336 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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