ChemSpider 2D Image | DESNICOTINYL INDINAVIR | C30H42N4O4

DESNICOTINYL INDINAVIR

  • Molecular FormulaC30H42N4O4
  • Average mass522.679 Da
  • Monoisotopic mass522.320618 Da
  • ChemSpider ID4586382

  • defined stereocentres - 5 of 5 defined stereocentres

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)-2-piperazincarboxamid [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)-2-piperazinecarboxamide [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)-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
150323-38-9 [RN]
DESNICOTINYL INDINAVIR
(1(1S,2R),5(S))-2,3,5-Trideoxy-n-(2,3-dihydro-2-hydroxy-1h-inden-1-yl)-5-(2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperazinyl)-2-(phenylmethyl)-d-erythro-pentonamide
(2S)-1-[(2S,4R)-4-(benzyl)-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-keto-pentyl]-N-tert-butyl-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-butylpiperazine-2-carboxamide
(2S)-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-1-indanyl]amino]-5-oxo-4-(phenylmethyl)pentyl]-2-piperazinecarboxamide
(2S)-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]piperazine-2-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

98N2VRY18Z [DBID]
AIDS006756 [DBID]
AIDS-006756 [DBID]
UNII:98N2VRY18Z [DBID]
UNII-98N2VRY18Z [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 814.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 124.2±3.0 kJ/mol
    Flash Point: 446.5±34.3 °C
    Index of Refraction: 1.617
    Molar Refractivity: 148.8±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 3.21
    ACD/LogD (pH 5.5): 0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.17
    ACD/LogD (pH 7.4): 1.90
    ACD/BCF (pH 7.4): 10.42
    ACD/KOC (pH 7.4): 108.29
    Polar Surface Area: 114 Å2
    Polarizability: 59.0±0.5 10-24cm3
    Surface Tension: 59.2±5.0 dyne/cm
    Molar Volume: 425.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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