ChemSpider 2D Image | [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-[2-(L-alanylamino)-1,3-thiazol-4-yl]-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C22H28N6O8S2

[(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-[2-(L-alanylamino)-1,3-thiazol-4-yl]-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC22H28N6O8S2
  • Average mass568.623 Da
  • Monoisotopic mass568.140991 Da
  • ChemSpider ID114812627

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6R,7R)-7-{[(2E)-2-[2-(L-Alanylamino)-1,3-thiazol-4-yl]-2-(méthoxyimino)acétyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de [(2,2-diméthylpropanoyl)oxy]méthyle [French] [ACD/IUPAC Name]
[(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-[2-(L-alanylamino)-1,3-thiazol-4-yl]-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
[(2,2-Dimethylpropanoyl)oxy]methyl-(6R,7R)-7-{[(2E)-2-[2-(L-alanylamino)-1,3-thiazol-4-yl]-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2E)-2-[2-[[(2S)-2-amino-1-oxopropyl]amino]-4-thiazolyl]-2-(methoxyimino)-1-oxoethyl]amino]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 138.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.06
Polar Surface Area: 245 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 62.8±7.0 dyne/cm
Molar Volume: 362.9±7.0 cm3

Click to predict properties on the Chemicalize site


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