ChemSpider 2D Image | (7E)-7-({(2E)-2-(Ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}imino)-8-hydroxy-3-{[4-(1-methyl-4-pyridiniumyl)-1,3-thiazol-2-yl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo xylate | C22H21N8O8PS4

(7E)-7-({(2E)-2-(Ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}imino)-8-hydroxy-3-{[4-(1-methyl-4-pyridiniumyl)-1,3-thiazol-2-yl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo xylate

  • Molecular FormulaC22H21N8O8PS4
  • Average mass684.685 Da
  • Monoisotopic mass684.010254 Da
  • ChemSpider ID95567620

  • Double-bond stereo - Double-bond stereo

More details:

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

(7E)-7-({(2E)-2-(Ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}imino)-8-hydroxy-3-{[4-(1-methyl-4-pyridiniumyl)-1,3-thiazol-2-yl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbox ylat [German] [ACD/IUPAC Name]
(7E)-7-({(2E)-2-(Ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}imino)-8-hydroxy-3-{[4-(1-methyl-4-pyridiniumyl)-1,3-thiazol-2-yl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo xylate [ACD/IUPAC Name]
(7E)-7-({(2E)-2-(Éthoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acétyl}imino)-8-hydroxy-3-{[4-(1-méthyl-4-pyridiniumyl)-1,3-thiazol-2-yl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carbo xylate [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- , inner salt [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: 344 Å2
Polarizability:
Surface Tension:
Molar Volume:

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