ChemSpider 2D Image | RITONAVIR 4-HYDROXY ISOMER | C37H48N6O5S2

RITONAVIR 4-HYDROXY ISOMER

  • Molecular FormulaC37H48N6O5S2
  • Average mass720.944 Da
  • Monoisotopic mass720.312744 Da
  • ChemSpider ID449981

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

202816-62-4 [RN]
Carbamic acid, N-[(1S,3S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester [ACD/Index Name]
N-[(2S,3S,5S)-3-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valinamid [German] [ACD/IUPAC Name]
N-[(2S,3S,5S)-3-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valinamide [ACD/IUPAC Name]
N-[(2S,3S,5S)-3-Hydroxy-1,6-diphényl-5-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)méthyl](méthyl)carbamoyl}-L-valinamide [French] [ACD/IUPAC Name]
RITONAVIR 4-HYDROXY ISOMER
1,3-thiazol-5-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]carbamate
1,3-thiazol-5-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
4-Dehydroxy-5-Hydroxy Ritonavir
N-[(1S,3S,4S)-1-(benzyl)-3-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamic acid thiazol-5-ylmethyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

QA8V47KHDS [DBID]
AIDS192409 [DBID]
AIDS-192409 [DBID]
UNII:QA8V47KHDS [DBID]
UNII-QA8V47KHDS [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: 947.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 144.4±3.0 kJ/mol
    Flash Point: 526.6±34.3 °C
    Index of Refraction: 1.600
    Molar Refractivity: 198.9±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 3
    ACD/LogP: 5.19
    ACD/LogD (pH 5.5): 5.06
    ACD/BCF (pH 5.5): 4121.88
    ACD/KOC (pH 5.5): 13453.51
    ACD/LogD (pH 7.4): 5.06
    ACD/BCF (pH 7.4): 4127.09
    ACD/KOC (pH 7.4): 13470.51
    Polar Surface Area: 202 Å2
    Polarizability: 78.9±0.5 10-24cm3
    Surface Tension: 53.7±3.0 dyne/cm
    Molar Volume: 581.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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