ChemSpider 2D Image | (2S,5R,6R)-6-{[2-(~15~N)Amino-2-(4-hydroxyphenyl)(~13~C_2_)ethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | C1413C2H19N215NO5S

(2S,5R,6R)-6-{[2-(15N)Amino-2-(4-hydroxyphenyl)(13C2)ethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

  • Molecular FormulaC1413C2H19N215NO5S
  • Average mass368.383 Da
  • Monoisotopic mass368.108276 Da
  • ChemSpider ID48058096

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,5R,6R)-6-{[2-(15N)Amino-2-(4-hydroxyphenyl)(13C2)ethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,5R,6R)-6-{[2-(15N)Amino-2-(4-hydroxyphenyl)(13C2)ethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[2-(amino-15N)-2-(4-hydroxyphenyl)-1-oxoethyl-1,2-13C2]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- [ACD/Index Name]
Acide (2S,5R,6R)-6-{[2-(15N)amino-2-(4-hydroxyphényl)(13C2)éthanoyl]amino}-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]
(2S,5R,6R)-6-[[2-azanyl-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
1357002-99-3 [RN]
AMOXICILLIN-13C2,15N
amoxicillin-13c2,15n (mixture of diastereomers)

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.702
    Molar Refractivity: 91.5±0.4 cm3
    #H bond acceptors:
    #H bond donors:
    #Freely Rotating Bonds:
    #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:
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 85.3±5.0 dyne/cm
    Molar Volume: 236.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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