ChemSpider 2D Image | Atazanavir-d6 | C38H46D6N6O7

Atazanavir-d6

  • Molecular FormulaC38H46D6N6O7
  • Average mass710.893 Da
  • Monoisotopic mass710.427429 Da
  • ChemSpider ID48058715

  • 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

(2H3)Methyl [(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](1,1,1-2H3)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate (n ; on-preferred name) [ACD/IUPAC Name]
(2H3)Methyl-[(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](1,1,1-2H3)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamat (no ; n-preferred name) [German] [ACD/IUPAC Name]
[(5S,10S,11S,14S)-11-Benzyl-10-hydroxy-15,15-diméthyl-5-(2-méthyl-2-propanyl)-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](1,1,1-2H3)-2-oxa-4,7,8,12-tétraazahexadécan-14-yl]carbamate de (2H3)méthyl e (non-preferred name) [French] [ACD/IUPAC Name]
1092540-50-5 [RN]
Atazanavir-d6
(2H3)Methyl [(5S,10S,11S,14S)-11-benzyl-5-tert-butyl-10-hydroxy-15,15-dimethyl-3,6,13-trioxo-8-{[4-(pyridin-2-yl)phenyl]methyl}(1,1,1-2H3)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate (non-preferred name)
Atazanavir D6
trideuteriomethyl N-[(2S)-1-[2-[(2S,3S)-3-[[(2S)-3,3-dimethyl-2-(trideuteriomethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.562
    Molar Refractivity: 194.0±0.3 cm3
    #H bond acceptors: 13
    #H bond donors: 5
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 4
    ACD/LogP: 5.20
    ACD/LogD (pH 5.5): 4.56
    ACD/BCF (pH 5.5): 1654.44
    ACD/KOC (pH 5.5): 6745.31
    ACD/LogD (pH 7.4): 4.61
    ACD/BCF (pH 7.4): 1883.23
    ACD/KOC (pH 7.4): 7678.09
    Polar Surface Area: 171 Å2
    Polarizability: 76.9±0.5 10-24cm3
    Surface Tension: 47.9±3.0 dyne/cm
    Molar Volume: 597.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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