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

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

  • Molecular FormulaC20H17N5O9S2
  • Average mass535.507 Da
  • Monoisotopic mass535.046753 Da
  • ChemSpider ID95642691

  • Double-bond stereo - Double-bond stereo

More details:

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

(7E)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-({[1-(3,4-dihydroxyphenyl)-2,2-dihydroxyvinyl]oxy}imino)acetyl]imino}-8-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(7E)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-({[1-(3,4-dihydroxyphenyl)-2,2-dihydroxyvinyl]oxy}imino)acetyl]imino}-8-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[[[1-(3,4-dihydroxyphenyl)-2,2-dihydroxyethenyl]oxy]imino]-1-oxoethyl]imino]-8-hydroxy-, (7E)- [ACD/Index Name]
Acide (7E)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-({[1-(3,4-dihydroxyphényl)-2,2-dihydroxyvinyl]oxy}imino)acétyl]imino}-8-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-ène-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: 930.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.7±3.0 kJ/mol
Flash Point: 516.2±37.1 °C
Index of Refraction: 1.853
Molar Refractivity: 123.4±0.5 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.95
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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