ChemSpider 2D Image | Trimethylsilyl (6R,7R)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-7-({(2R)-2-phenyl-2-[(trimethylsilyl)oxy]acetyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C24H34N6O5S2Si2

Trimethylsilyl (6R,7R)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-7-({(2R)-2-phenyl-2-[(trimethylsilyl)oxy]acetyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC24H34N6O5S2Si2
  • Average mass606.865 Da
  • Monoisotopic mass606.157043 Da
  • ChemSpider ID168485
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(6R,7R)-3-{[(1-Méthyl-1H-tétrazol-5-yl)sulfanyl]méthyl}-8-oxo-7-({(2R)-2-phényl-2-[(triméthylsilyl)oxy]acétyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de triméthylsilyle [French] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-[[(2R)-2-phenyl-2-[(trimethylsilyl)oxy]acetyl]amino]-, trimethylsilyl ester, (6R,7R)- [ACD/Index Name]
Trimethylsilyl (6R,7R)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-7-({(2R)-2-phenyl-2-[(trimethylsilyl)oxy]acetyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
Trimethylsilyl-(6R,7R)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-7-({(2R)-2-phenyl-2-[(trimethylsilyl)oxy]acetyl}amino)-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, 3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-7-((phenyl((trimethylsilyl)oxy)acetyl)amino)-, trimethylsilyl ester, (6R-(6α,7β(R*)))-
64119-70-6 [RN]
Bis(trimethylsilyl)cefamandole
Btms-cefamandole

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 161.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 259.10
ACD/KOC (pH 5.5): 1858.50
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 259.09
ACD/KOC (pH 7.4): 1858.41
Polar Surface Area: 179 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 450.8±7.0 cm3

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