ChemSpider 2D Image | 3-(Acetoxymethyl)-7-({[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C20H24N4O8S2

3-(Acetoxymethyl)-7-({[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC20H24N4O8S2
  • Average mass512.557 Da
  • Monoisotopic mass512.103577 Da
  • ChemSpider ID77452820

More details:

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

3-(Acetoxymethyl)-7-({[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
3-(Acetoxymethyl)-7-({[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]acetyl}amino)-8-oxo-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, 3-[(acetyloxy)methyl]-7-[[2-[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-thiazolyl]acetyl]amino]-8-oxo- [ACD/Index Name]
Acide 3-(acétoxyméthyl)-7-({2-[2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]acétyl}amino)-8-oxo-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: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.42
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 336.5±5.0 cm3

Click to predict properties on the Chemicalize site


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