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

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

  • Molecular FormulaC25H28N6O7S3
  • Average mass620.721 Da
  • Monoisotopic mass620.118164 Da
  • ChemSpider ID95785295

  • 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-(méthoxyimino)acétyl]imino}-8-hydroxy-3-[(E)-2-(4-méthyl-1,3-thiazol-5-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de [(2,2-diméthylpropano yl)oxy]méthyle [French] [ACD/IUPAC Name]
[(2,2-Dimethylpropanoyl)oxy]methyl (7E)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]imino}-8-hydroxy-3-[(E)-2-(4-methyl-1,3-thiazol-5-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-c arboxylate [ACD/IUPAC Name]
[(2,2-Dimethylpropanoyl)oxy]methyl-(7E)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]imino}-8-hydroxy-3-[(E)-2-(4-methyl-1,3-thiazol-5-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-ca rboxylat [German] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]imino]-8-hydroxy-3-[(E)-2-(4-methyl-5-thiazolyl)ethenyl]-, (2,2-dimethyl-1-oxopropox y)methyl ester, (7E)- [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: 837.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 460.0±37.1 °C
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: 3.70
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 124.07
ACD/KOC (pH 5.5): 1095.23
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 123.97
ACD/KOC (pH 7.4): 1094.29
Polar Surface Area: 261 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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