ChemSpider 2D Image | 7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-({[1-(3,4-dihydroxyphenyl)-2,2-dihydroxyvinyl]oxy}imino)acetyl]amino}-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxylic acid | C20H17N5O9S2

7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-({[1-(3,4-dihydroxyphenyl)-2,2-dihydroxyvinyl]oxy}imino)acetyl]amino}-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxylic acid

  • Molecular FormulaC20H17N5O9S2
  • Average mass535.507 Da
  • Monoisotopic mass535.046753 Da
  • ChemSpider ID95623211

More details:

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

5-Thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxylic acid, 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[[[1-(3,4-dihydroxyphenyl)-2,2-dihydroxyethenyl]oxy]imino]-1-oxoethyl]amino]-8-hydroxy- [ACD/Index Name]
7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-({[1-(3,4-dihydroxyphenyl)-2,2-dihydroxyvinyl]oxy}imino)acetyl]amino}-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-dien-2-carbonsäure [German] [ACD/IUPAC Name]
7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-({[1-(3,4-dihydroxyphenyl)-2,2-dihydroxyvinyl]oxy}imino)acetyl]amino}-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxylic acid [ACD/IUPAC Name]
Acide 7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-({[1-(3,4-dihydroxyphényl)-2,2-dihydroxyvinyl]oxy}imino)acétyl]amino}-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-diène-2-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.853
Molar Refractivity: 123.4±0.5 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 285 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 100.2±7.0 dyne/cm
Molar Volume: 275.5±7.0 cm3

Click to predict properties on the Chemicalize site


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