ChemSpider 2D Image | (2S,3S,5R)-3-Methyl-3-[(3-methyl-1H-1,2,3-triazol-3-ium-1-yl)methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide | C11H14N4O5S

(2S,3S,5R)-3-Methyl-3-[(3-methyl-1H-1,2,3-triazol-3-ium-1-yl)methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide

  • Molecular FormulaC11H14N4O5S
  • Average mass314.318 Da
  • Monoisotopic mass314.068481 Da
  • ChemSpider ID68025157

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,5R) 4,4-Dioxyde de 3-méthyl-3-[(3-méthyl-1H-1,2,3-triazol-3-ium-1-yl)méthyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate [French] [ACD/IUPAC Name]
(2S,3S,5R)-3-Methyl-3-[(3-methyl-1H-1,2,3-triazol-3-ium-1-yl)methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carboxylat-4,4-dioxid [German] [ACD/IUPAC Name]
(2S,3S,5R)-3-Methyl-3-[(3-methyl-1H-1,2,3-triazol-3-ium-1-yl)methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide [ACD/IUPAC Name]
1H-1,2,3-Triazolium, 1-[[(2S,3S,5R)-2-carboxy-3-methyl-4,4-dioxido-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-3-yl]methyl]-3-methyl-, inner salt [ACD/Index Name]
(2S,3S,5R)-3-methyl-3-[(3-methyltriazol-3-ium-1-yl)methyl]-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
1001404-83-6 [RN]
aai101
AAI-101
Enmetazobactam
MFCD30803316

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

    Density:
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    Index of Refraction:
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    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations:
    ACD/LogP:
    ACD/LogD (pH 5.5):
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    ACD/LogD (pH 7.4):
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    Polar Surface Area: 125 Å2
    Polarizability:
    Surface Tension:
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    Click to predict properties on the Chemicalize site


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