ChemSpider 2D Image | D-valine diastereomer-lopinavir | C37H48N4O5

D-valine diastereomer-lopinavir

  • Molecular FormulaC37H48N4O5
  • Average mass628.801 Da
  • Monoisotopic mass628.362488 Da
  • ChemSpider ID5254093

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-N-[(2S,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]
(2R)-N-[(2S,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]
(2R)-N-[(2S,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-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-, (αR)- [ACD/Index Name]
D-valine diastereomer-lopinavir
(2R)-N-[(1S,3S,4S)-1-(benzyl)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-pentyl]-2-(2-ketohexahydropyrimidin-1-yl)-3-methyl-butyramide
(2R)-N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-3-methyl-2-(2-oxo-1-hexahydropyrimidinyl)butanamide
(2R)-N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-3-methyl-2-(2-oxohexahydropyrimidin-1-yl)butanamide
(2R)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-di(phenyl)hexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
(2R)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)ethanoylamino]-4-hydroxy-1,6-di(phenyl)hexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

13246C84TX [DBID]
LS-173766 [DBID]
UNII:13246C84TX [DBID]
UNII-13246C84TX [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


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