ChemSpider 2D Image | DES(2-OXO-TETRAHYDROPYRIMIDINYL)-2-OXO-4-HYDROXY-TETRAHYDROPYRIMIDINYL LOPINAVIR | C37H48N4O6

DES(2-OXO-TETRAHYDROPYRIMIDINYL)-2-OXO-4-HYDROXY-TETRAHYDROPYRIMIDINYL LOPINAVIR

  • Molecular FormulaC37H48N4O6
  • Average mass644.800 Da
  • Monoisotopic mass644.357361 Da
  • ChemSpider ID426518

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-2-(4-hydroxy-2-oxotetrahydro-1(2H)-pyrimidinyl)-3-methylbutanamid [German] [ACD/IUPAC Name]
(2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-2-(4-hydroxy-2-oxotetrahydro-1(2H)-pyrimidinyl)-3-methylbutanamide [ACD/IUPAC Name]
(2S)-N-[(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(4-hydroxy-2-oxotetrahydropyrimidin-1(2H)-yl)-3-methylbutanamide
(2S)-N-[(2S,4S,5S)-5-{[2-(2,6-Diméthylphénoxy)acétyl]amino}-4-hydroxy-1,6-diphényl-2-hexanyl]-2-(4-hydroxy-2-oxotétrahydro-1(2H)-pyrimidinyl)-3-méthylbutanamide [French] [ACD/IUPAC Name]
1(2H)-Pyrimidineacetamide, N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-4-hydroxy-α-(1-methylethyl)-2-oxo-, (αS)- [ACD/Index Name]
357275-54-8 [RN]
DES(2-OXO-TETRAHYDROPYRIMIDINYL)-2-OXO-4-HYDROXY-TETRAHYDROPYRIMIDINYL LOPINAVIR
(2S)-N-[(1S,3S,4S)-1-(benzyl)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-pentyl]-2-(4-hydroxy-2-keto-hexahydropyrimidin-1-yl)-3-methyl-butyramide
(2S)-N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-2-(4-hydroxy-2-oxo-1-hexahydropyrimidinyl)-3-methylbutanamide
(2S)-N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-2-(4-hydroxy-2-oxo-hexahydropyrimidin-1-yl)-3-methyl-butanamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9BL5BH56JW [DBID]
UNII:9BL5BH56JW [DBID]
AIDS108632 [DBID]
AIDS-108632 [DBID]
UNII-9BL5BH56JW [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: 957.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 146.0±3.0 kJ/mol
    Flash Point: 532.7±34.3 °C
    Index of Refraction: 1.588
    Molar Refractivity: 180.8±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 4
    ACD/LogP: 5.19
    ACD/LogD (pH 5.5): 3.91
    ACD/BCF (pH 5.5): 550.09
    ACD/KOC (pH 5.5): 3183.66
    ACD/LogD (pH 7.4): 3.91
    ACD/BCF (pH 7.4): 550.09
    ACD/KOC (pH 7.4): 3183.64
    Polar Surface Area: 140 Å2
    Polarizability: 71.7±0.5 10-24cm3
    Surface Tension: 52.7±3.0 dyne/cm
    Molar Volume: 537.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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