ChemSpider 2D Image | [(2R,5S)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl salicylate | C15H15N3O5S

[(2R,5S)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl salicylate

  • Molecular FormulaC15H15N3O5S
  • Average mass349.362 Da
  • Monoisotopic mass349.073242 Da
  • ChemSpider ID19380067

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

((2R,5S)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl 2-hydroxybenzoate
[(2R,5S)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl salicylate [ACD/IUPAC Name]
[(2R,5S)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methylsalicylat [German] [ACD/IUPAC Name]
173522-96-8 [RN]
Benzoic acid, 2-hydroxy-, [(2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl ester [ACD/Index Name]
Salicylate de [(2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]méthyle [French] [ACD/IUPAC Name]
[(2R,5S)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl 2-hydroxybenzoate
Lamivudine salicylate
Lamivudinesalicylate
MFCD22421641 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 563.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.8±3.0 kJ/mol
    Flash Point: 294.5±32.9 °C
    Index of Refraction: 1.711
    Molar Refractivity: 86.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.63
    ACD/LogD (pH 5.5): 1.14
    ACD/BCF (pH 5.5): 4.28
    ACD/KOC (pH 5.5): 97.11
    ACD/LogD (pH 7.4): 1.06
    ACD/BCF (pH 7.4): 3.55
    ACD/KOC (pH 7.4): 80.49
    Polar Surface Area: 140 Å2
    Polarizability: 34.1±0.5 10-24cm3
    Surface Tension: 69.2±7.0 dyne/cm
    Molar Volume: 220.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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