ChemSpider 2D Image | O-Acetyl-N-[2-(3-isopropyl-4-methoxyphenyl)-2-oxoethyl]-Nalpha-{[2-(2-methyl-2-propanyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosinamide | C36H39N3O8

O-Acetyl-N-[2-(3-isopropyl-4-methoxyphenyl)-2-oxoethyl]-Nα-{[2-(2-methyl-2-propanyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosinamide

  • Molecular FormulaC36H39N3O8
  • Average mass641.710 Da
  • Monoisotopic mass641.273743 Da
  • ChemSpider ID121027798

More details:

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

1H-Isoindole-5-carboxamide, N-[1-[[4-(acetyloxy)phenyl]methyl]-2-[[2-[4-methoxy-3-(1-methylethyl)phenyl]-2-oxoethyl]amino]-2-oxoethyl]-2-(1,1-dimethylethyl)-2,3-dihydro-1,3-dioxo- [ACD/Index Name]
O-Acetyl-N-[2-(3-isopropyl-4-methoxyphenyl)-2-oxoethyl]-Nα-{[2-(2-methyl-2-propanyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosinamid [German] [ACD/IUPAC Name]
O-Acetyl-N-[2-(3-isopropyl-4-methoxyphenyl)-2-oxoethyl]-Nα-{[2-(2-methyl-2-propanyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosinamide [ACD/IUPAC Name]
O-Acétyl-N-[2-(3-isopropyl-4-méthoxyphényl)-2-oxoéthyl]-Nα-{[2-(2-méthyl-2-propanyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 863.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.5±3.0 kJ/mol
Flash Point: 476.0±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 173.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2084.97
ACD/KOC (pH 5.5): 8268.14
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2084.94
ACD/KOC (pH 7.4): 8268.04
Polar Surface Area: 148 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 513.3±3.0 cm3

Click to predict properties on the Chemicalize site


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