ChemSpider 2D Image | 7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[carboxylato(3,4-dihydroxyphenyl)methoxy]imino}acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C20H15N5O9S2

7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[carboxylato(3,4-dihydroxyphenyl)methoxy]imino}acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC20H15N5O9S2
  • Average mass533.492 Da
  • Monoisotopic mass533.032227 Da
  • ChemSpider ID21210411

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[[carboxy(3,4-dihydroxyphenyl)methoxy]imino]-1-oxoethyl]amino]-8-oxo-, ion(2-) [ACD/Index Name]
7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[carboxylato(3,4-dihydroxyphenyl)methoxy]imino}acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[carboxylato(3,4-dihydroxyphenyl)methoxy]imino}acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[carboxylato(3,4-dihydroxyphényl)méthoxy]imino}acétyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC 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: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -4.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 284 Å2
Polarizability:
Surface Tension:
Molar Volume:

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