ChemSpider 2D Image | Methyl {(5S,10S,11S,14S)-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-11-[(~2~H_5_)phenylmethyl]-8-[4-(2-pyridinyl)benzyl]-2-oxa-4,7,8,12-tetraazahexadecan-14-yl}carbamate (non-pref erred name) | C38H47D5N6O7

Methyl {(5S,10S,11S,14S)-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-11-[(2H5)phenylmethyl]-8-[4-(2-pyridinyl)benzyl]-2-oxa-4,7,8,12-tetraazahexadecan-14-yl}carbamate (non-pref erred name)

  • Molecular FormulaC38H47D5N6O7
  • Average mass709.886 Da
  • Monoisotopic mass709.421143 Da
  • ChemSpider ID57558113

  • 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

{(5S,10S,11S,14S)-10-Hydroxy-15,15-diméthyl-5-(2-méthyl-2-propanyl)-3,6,13-trioxo-11-[(2H5)phénylméthyl]-8-[4-(2-pyridinyl)benzyl]-2-oxa-4,7,8,12-tétraazahexadécan-14-yl}carbamate de méthyle (non- 
preferred name) [French] [ACD/IUPAC Name]
Methyl {(5S,10S,11S,14S)-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-11-[(2H5)phenylmethyl]-8-[4-(2-pyridinyl)benzyl]-2-oxa-4,7,8,12-tetraazahexadecan-14-yl}carbamate (non-pref erred name) [ACD/IUPAC Name]
Methyl-{(5S,10S,11S,14S)-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-11-[(2H5)phenylmethyl]-8-[4-(2-pyridinyl)benzyl]-2-oxa-4,7,8,12-tetraazahexadecan-14-yl}carbamat (non-prefe rred name) [German] [ACD/IUPAC Name]
1132747-14-8 [RN]
Atazanavir-d5
Methyl [(5S,10S,11S,14S)-5-tert-butyl-10-hydroxy-15,15-dimethyl-3,6,13-trioxo-11-[(2H5)phenylmethyl]-8-{[4-(pyridin-2-yl)phenyl]methyl}-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate (non-preferred name)
MFCD09839948

    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


    Advertisement