ChemSpider 2D Image | dapagliflozin-d5 | C21H20D5ClO6

dapagliflozin-d5

  • Molecular FormulaC21H20D5ClO6
  • Average mass413.903 Da
  • Monoisotopic mass413.165344 Da
  • ChemSpider ID31129672

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S)-1,5-Anhydro-1-(4-chlor-3-{4-[(2H5)ethyloxy]benzyl}phenyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(4-chloro-3-{4-[(2H5)ethyloxy]benzyl}phenyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(4-chloro-3-{4-[(2H5)éthyloxy]benzyl}phényl)-D-glucitol [French] [ACD/IUPAC Name]
1204219-80-6 [RN]
dapagliflozin-d5
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-(ethyl-d5-oxy)phenyl]methyl]phenyl]-, (1S)- [ACD/Index Name]
(1S)-1,5-Anhydro-1-[4-chloro-3-({4-[(2H5)ethyloxy]phenyl}methyl)phenyl]-D-glucitol
(1S)-1,5-anhydro-1-C-[4-chloro-3-[[4-(ethoxy-1,1,2,2,2-d5)phenyl]methyl]phenyl]-D-glucitol
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(1,1,2,2,2-pentadeuterioethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
dapagliflozin d5

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 609.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.1±3.0 kJ/mol
    Flash Point: 322.1±31.5 °C
    Index of Refraction: 1.614
    Molar Refractivity: 105.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.42
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 44.99
    ACD/KOC (pH 5.5): 530.76
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 44.99
    ACD/KOC (pH 7.4): 530.76
    Polar Surface Area: 99 Å2
    Polarizability: 41.9±0.5 10-24cm3
    Surface Tension: 54.3±3.0 dyne/cm
    Molar Volume: 303.1±3.0 cm3

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