ChemSpider 2D Image | (2S,5R,6R)-3-Methyl-3-(~2~H_3_)methyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide | C16H15D3N2O6S

(2S,5R,6R)-3-Methyl-3-(2H3)methyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide

  • Molecular FormulaC16H15D3N2O6S
  • Average mass369.407 Da
  • Monoisotopic mass369.107391 Da
  • ChemSpider ID48062787

  • defined stereocentres - 4 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)-3-Methyl-3-(2H3)methyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure-4-oxid [German] [ACD/IUPAC Name]
(2S,5R,6R)-3-Methyl-3-(2H3)methyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-3-(methyl-d3)-7-oxo-6-[(2-phenoxyacetyl)amino]-, 4-oxide, (2S,5R,6R)- [ACD/Index Name]
Acide (2S,5R,6R) 4-oxyde de 3-méthyl-3-(2H3)méthyl-7-oxo-6-[(2-phénoxyacétyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]
148680-07-3 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 780.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 119.1±3.0 kJ/mol
    Flash Point: 425.6±32.9 °C
    Index of Refraction: 1.672
    Molar Refractivity: 88.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -0.21
    ACD/LogD (pH 5.5): -2.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.43
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 132 Å2
    Polarizability: 35.3±0.5 10-24cm3
    Surface Tension: 82.6±5.0 dyne/cm
    Molar Volume: 237.5±5.0 cm3

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