ChemSpider 2D Image | (2R) epimer-lopinavir | C37H48N4O5

(2R) epimer-lopinavir

  • Molecular FormulaC37H48N4O5
  • Average mass628.801 Da
  • Monoisotopic mass628.362488 Da
  • ChemSpider ID23346490

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R) epimer-lopinavir
(2S)-N-[(2R,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamid [German] [ACD/IUPAC Name]
(2S)-N-[(2R,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide [ACD/IUPAC Name]
(2S)-N-[(2R,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide
(2S)-N-[(2R,4S,5S)-5-{[2-(2,6-Diméthylphénoxy)acétyl]amino}-4-hydroxy-1,6-diphényl-2-hexanyl]-3-méthyl-2-(2-oxotétrahydro-1(2H)-pyrimidinyl)butanamide [French] [ACD/IUPAC Name]
1(2H)-Pyrimidineacetamide, N-[(1R,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-, (αS)- [ACD/Index Name]
(2S)-N-[(2R,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
(2S)-N-[(2R,4S,5S)-5-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenyl-hexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
(S)-N-((2R,4S,5S)-5-(2-(2,6-Dimethylphenoxy)acetamido)-4-hydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-
(S)-N-((2R,4S,5S)-5-(2-(2,6-Dimethylphenoxy)acetamido)-4-hydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide
More...

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

9KMC791AR9 [DBID]
UNII:9KMC791AR9 [DBID]
UNII-9KMC791AR9 [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: 924.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 140.8±3.0 kJ/mol
    Flash Point: 512.7±34.3 °C
    Index of Refraction: 1.577
    Molar Refractivity: 179.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 2
    ACD/LogP: 6.26
    ACD/LogD (pH 5.5): 5.24
    ACD/BCF (pH 5.5): 5653.90
    ACD/KOC (pH 5.5): 16885.85
    ACD/LogD (pH 7.4): 5.24
    ACD/BCF (pH 7.4): 5653.90
    ACD/KOC (pH 7.4): 16885.85
    Polar Surface Area: 120 Å2
    Polarizability: 71.0±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 540.5±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement