ChemSpider 2D Image | 1-{[(7E)-2-Carboxy-8-hydroxy-7-{[(Z)-1-hydroxy-2-(2-thienyl)vinyl]imino}-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridinium | C19H18N3O4S2

1-{[(7E)-2-Carboxy-8-hydroxy-7-{[(Z)-1-hydroxy-2-(2-thienyl)vinyl]imino}-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridinium

  • Molecular FormulaC19H18N3O4S2
  • Average mass416.493 Da
  • Monoisotopic mass416.073334 Da
  • ChemSpider ID95556065

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

1-{[(7E)-2-Carboxy-8-hydroxy-7-{[(Z)-1-hydroxy-2-(2-thienyl)vinyl]imino}-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridinium [German] [ACD/IUPAC Name]
1-{[(7E)-2-Carboxy-8-hydroxy-7-{[(Z)-1-hydroxy-2-(2-thienyl)vinyl]imino}-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridinium [ACD/IUPAC Name]
1-{[(7E)-2-Carboxy-8-hydroxy-7-{[(Z)-1-hydroxy-2-(2-thiényl)vinyl]imino}-5-thia-1-azabicyclo[4.2.0]oct-2-én-3-yl]méthyl}pyridinium [French] [ACD/IUPAC Name]
Pyridinium, 1-[[(7E)-2-carboxy-8-hydroxy-7-[[(Z)-1-hydroxy-2-(2-thienyl)ethenyl]imino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]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: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.97
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.91
Polar Surface Area: 151 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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