ChemSpider 2D Image | HYDROXYRITONAVIR | C37H48N6O6S2

HYDROXYRITONAVIR

  • Molecular FormulaC37H48N6O6S2
  • Average mass736.944 Da
  • Monoisotopic mass736.307678 Da
  • ChemSpider ID30778616

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

176655-56-4 [RN]
Carbamic acid, N-[(1S,2S,4S)-2-hydroxy-4-[[(2S)-2-[[[[[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]methyl]methylamino]carbonyl]amino]-3-methyl-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazo lylmethyl ester [ACD/Index Name]
HYDROXYRITONAVIR
N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-[{[2-(2-hydroxy-2-propanyl)-1,3-thiazol-4-yl]methyl}(methyl)carbamoyl]-L-valinamid [German] [ACD/IUPAC Name]
N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-[{[2-(2-hydroxy-2-propanyl)-1,3-thiazol-4-yl]methyl}(methyl)carbamoyl]-L-valinamide [ACD/IUPAC Name]
N-[(2S,4S,5S)-4-Hydroxy-1,6-diphényl-5-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}-2-hexanyl]-N2-[{[2-(2-hydroxy-2-propanyl)-1,3-thiazol-4-yl]méthyl}(méthyl)carbamoyl]-L-valinamide [French] [ACD/IUPAC Name]
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-2-[({[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl}(methyl)carbamoyl)amino]-3-methylbutanamido]-1,6-diphenylhexan-2-yl]carbamate
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-2-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
Hydroxy ritonavir
RITONAVIR HYDROXY METABOLITE

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

JN1D7K606N [DBID]
UNII:JN1D7K606N [DBID]
UNII-JN1D7K606N [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 981.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 149.8±3.0 kJ/mol
    Flash Point: 547.2±34.3 °C
    Index of Refraction: 1.607
    Molar Refractivity: 200.0±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 5
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 3
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 4.17
    ACD/BCF (pH 5.5): 864.24
    ACD/KOC (pH 5.5): 4398.57
    ACD/LogD (pH 7.4): 4.17
    ACD/BCF (pH 7.4): 864.54
    ACD/KOC (pH 7.4): 4400.12
    Polar Surface Area: 222 Å2
    Polarizability: 79.3±0.5 10-24cm3
    Surface Tension: 56.0±3.0 dyne/cm
    Molar Volume: 579.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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