ChemSpider 2D Image | 4-(2-{[(7E)-2-Carboxy-7-({(2E)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}imino)-8-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-methylpyridiniu m | C22H22N8O8PS4

4-(2-{[(7E)-2-Carboxy-7-({(2E)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}imino)-8-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-methylpyridiniu m

  • Molecular FormulaC22H22N8O8PS4
  • Average mass685.692 Da
  • Monoisotopic mass685.017578 Da
  • ChemSpider ID95567621

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

4-(2-{[(7E)-2-Carboxy-7-({(2E)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}imino)-8-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-methylpyridiniu m [German] [ACD/IUPAC Name]
4-(2-{[(7E)-2-Carboxy-7-({(2E)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}imino)-8-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-methylpyridiniu m [ACD/IUPAC Name]
4-(2-{[(7E)-2-Carboxy-7-({(2E)-2-(éthoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acétyl}imino)-8-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-én-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-méthylpyridiniu m [French] [ACD/IUPAC Name]
Pyridinium, 4-[2-[[(7E)-2-carboxy-7-[[(2E)-2-(ethoxyimino)-1-oxo-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethyl]imino]-8-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl- [ACD/Index Name]

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: 0.05
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 341 Å2
Polarizability:
Surface Tension:
Molar Volume:

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