ChemSpider 2D Image | S-[(6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-bis[(~2~H_3_)methyl] phosphorothioate | C9H4D6ClN2O5PS

S-[(6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-bis[(2H3)methyl] phosphorothioate

  • Molecular FormulaC9H4D6ClN2O5PS
  • Average mass330.715 Da
  • Monoisotopic mass330.011322 Da
  • ChemSpider ID48059004

  • Non-standard isotope - Non-standard isotope

More details:

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

Phosphorothioate de S-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)méthyle] et de O,O-bis[(2H3)méthyle] [French] [ACD/IUPAC Name]
Phosphorothioic acid, S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl-d3 ester [ACD/Index Name]
S-[(6-Chlor-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl]-O,O-bis[(2H3)methyl]phosphorothioat [German] [ACD/IUPAC Name]
S-[(6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-bis[(2H3)methyl] phosphorothioate [ACD/IUPAC Name]
1189894-02-7 [RN]
3-[bis(trideuteriomethoxy)phosphorylsulfanylmethyl]-6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-one

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 428.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.4±3.0 kJ/mol
    Flash Point: 213.1±31.5 °C
    Index of Refraction: 1.589
    Molar Refractivity: 69.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.82
    ACD/LogD (pH 5.5): 1.52
    ACD/BCF (pH 5.5): 8.43
    ACD/KOC (pH 5.5): 160.08
    ACD/LogD (pH 7.4): 1.52
    ACD/BCF (pH 7.4): 8.43
    ACD/KOC (pH 7.4): 160.08
    Polar Surface Area: 113 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 62.0±3.0 dyne/cm
    Molar Volume: 207.2±3.0 cm3

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