ChemSpider 2D Image | [(2,2-Dimethylpropanoyl)oxy]methyl 7-{[(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetyl]amino}-3-[2-(4-methyl-1,3-thiazol-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C25H28N6O7S3

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

  • Molecular FormulaC25H28N6O7S3
  • Average mass620.721 Da
  • Monoisotopic mass620.118164 Da
  • ChemSpider ID5160549

More details:

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

[(2,2-Dimethylpropanoyl)oxy]methyl 7-{[(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetyl]amino}-3-[2-(4-methyl-1,3-thiazol-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
[(2,2-Dimethylpropanoyl)oxy]methyl-7-{[(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetyl]amino}-3-[2-(4-methyl-1,3-thiazol-5-yl)vinyl]-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-[[2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester [ACD/Index Name]
7-{[2-(2-Amino-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-3-[2-(4-méthyl-1,3-thiazol-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de [(2,2-diméthylpropanoyl)oxy]méthyle [French] [ACD/IUPAC Name]

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

SPBio_000653 [DBID]
Spectrum2_000647 [DBID]

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: 1.710
Molar Refractivity: 156.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.86
ACD/KOC (pH 5.5): 477.40
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.88
ACD/KOC (pH 7.4): 477.68
Polar Surface Area: 257 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 63.1±7.0 dyne/cm
Molar Volume: 399.7±7.0 cm3

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