ChemSpider 2D Image | N-{(4R,5R)-4-Hydroxy-1,6-diphenyl-5-[({[(4,5-~13~C_2_)-1,3-thiazol-5-yl(~13~C)methyl]oxy}carbonyl)amino]-2-hexanyl}-N~2~-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}valinamide | C3413C3H48N6O5S2

N-{(4R,5R)-4-Hydroxy-1,6-diphenyl-5-[({[(4,5-13C2)-1,3-thiazol-5-yl(13C)methyl]oxy}carbonyl)amino]-2-hexanyl}-N2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}valinamide

  • Molecular FormulaC3413C3H48N6O5S2
  • Average mass723.922 Da
  • Monoisotopic mass723.322815 Da
  • ChemSpider ID68026788

  • defined stereocentres - 2 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Carbamic acid, N-[(1R,2R)-2-hydroxy-4-[[3-methyl-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolyl-4,5-13C2-m ethyl-13C ester [ACD/Index Name]
N-{(4R,5R)-4-Hydroxy-1,6-diphenyl-5-[({[(4,5-13C2)-1,3-thiazol-5-yl(13C)methyl]oxy}carbonyl)amino]-2-hexanyl}-N2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}valinamid [German] [ACD/IUPAC Name]
N-{(4R,5R)-4-Hydroxy-1,6-diphenyl-5-[({[(4,5-13C2)-1,3-thiazol-5-yl(13C)methyl]oxy}carbonyl)amino]-2-hexanyl}-N2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}valinamide [ACD/IUPAC Name]
N-{(4R,5R)-4-Hydroxy-1,6-diphényl-5-[({[(4,5-13C2)-1,3-thiazol-5-yl(13C)méthyl]oxy}carbonyl)amino]-2-hexanyl}-N2-{[(2-isopropyl-1,3-thiazol-4-yl)méthyl](méthyl)carbamoyl}valinamide [French] [ACD/IUPAC Name]
Ritonavir-13C3

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 198.9±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
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


Advertisement