ChemSpider 2D Image | Indinavir-d6 | C36H41D6N5O4

Indinavir-d6

  • Molecular FormulaC36H41D6N5O4
  • Average mass619.826 Da
  • Monoisotopic mass619.400452 Da
  • ChemSpider ID23976225

  • 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

(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-(2-methyl-2-propanyl)-4-[(2H4)-3-pyridinyl(2H2)methyl]-2-piperazincarboxamid (non-prefe rred name) [German] [ACD/IUPAC Name]
(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-(2-methyl-2-propanyl)-4-[(2H4)-3-pyridinyl(2H2)methyl]-2-piperazinecarboxamide (non-pre ferred name) [ACD/IUPAC Name]
(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-5-oxopentyl]-N-(2-méthyl-2-propanyl)-4-[(2H4)-3-pyridinyl(2H2)méthyl]-2-pipérazinecarboxamide (non-pre ferred name) [French] [ACD/IUPAC Name]
185897-02-3 [RN]
Indinavir-d6
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-[dideuterio-(2,4,5,6-tetradeuteriopyridin-3-yl)methyl]piperazine-2-carboxamide
(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-{[(2H4)pyridin-3-yl](2H2)methyl}piperazine-2-carboxamide (non-preferred name)

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 877.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 133.7±3.0 kJ/mol
    Flash Point: 484.7±34.3 °C
    Index of Refraction: 1.636
    Molar Refractivity: 176.1±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 2.88
    ACD/LogD (pH 5.5): 2.66
    ACD/BCF (pH 5.5): 50.65
    ACD/KOC (pH 5.5): 452.04
    ACD/LogD (pH 7.4): 3.03
    ACD/BCF (pH 7.4): 118.03
    ACD/KOC (pH 7.4): 1053.30
    Polar Surface Area: 118 Å2
    Polarizability: 69.8±0.5 10-24cm3
    Surface Tension: 63.7±5.0 dyne/cm
    Molar Volume: 491.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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