ChemSpider 2D Image | 2-({(Z)-[1-(2-Amino-3H-1,3-thiazol-1-ium-4-yl)-2-oxo-2-({[(6S)-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methyl}amino)ethylidene]amino}oxy)-2-methylpropanoate | C16H25BN4O6S

2-({(Z)-[1-(2-Amino-3H-1,3-thiazol-1-ium-4-yl)-2-oxo-2-({[(6S)-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methyl}amino)ethylidene]amino}oxy)-2-methylpropanoate

  • Molecular FormulaC16H25BN4O6S
  • Average mass412.269 Da
  • Monoisotopic mass412.158783 Da
  • ChemSpider ID25060423

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-({(Z)-[1-(2-Amino-3H-1,3-thiazol-1-ium-4-yl)-2-oxo-2-({[(6S)-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methyl}amino)ethyliden]amino}oxy)-2-methylpropanoat [German] [ACD/IUPAC Name]
2-({(Z)-[1-(2-Amino-3H-1,3-thiazol-1-ium-4-yl)-2-oxo-2-({[(6S)-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methyl}amino)ethylidene]amino}oxy)-2-methylpropanoate [ACD/IUPAC Name]
2-({(Z)-[1-(2-Amino-3H-1,3-thiazol-1-ium-4-yl)-2-oxo-2-({[(6S)-4,4,6-triméthyl-1,3,2-dioxaborinan-2-yl]méthyl}amino)éthylidène]amino}oxy)-2-méthylpropanoate [French] [ACD/IUPAC Name]
3H-Thiazolium, 2-amino-4-[(1Z)-1-[(1-carboxy-1-methylethoxy)imino]-2-oxo-2-[[[(6S)-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methyl]amino]ethyl]-, inner salt [ACD/Index Name]

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 151 Å2
Polarizability:
Surface Tension:
Molar Volume:

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