ChemSpider 2D Image | O-[5-({(4S)-3-[(Benzyloxy)carbonyl]-2,2-dimethyl-1,3-oxazolidin-4-yl}methyl)-2-methoxyphenyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosine | C35H42N2O9

O-[5-({(4S)-3-[(Benzyloxy)carbonyl]-2,2-dimethyl-1,3-oxazolidin-4-yl}methyl)-2-methoxyphenyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosine

  • Molecular FormulaC35H42N2O9
  • Average mass634.716 Da
  • Monoisotopic mass634.289001 Da
  • ChemSpider ID8637137

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-[5-[[(4S)-2,2-dimethyl-3-[(phenylmethoxy)carbonyl]-4-oxazolidinyl]methyl]-2-methoxyphenyl]- [ACD/Index Name]
O-[5-({(4S)-3-[(Benzyloxy)carbonyl]-2,2-dimethyl-1,3-oxazolidin-4-yl}methyl)-2-methoxyphenyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosin [German] [ACD/IUPAC Name]
O-[5-({(4S)-3-[(Benzyloxy)carbonyl]-2,2-dimethyl-1,3-oxazolidin-4-yl}methyl)-2-methoxyphenyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosine [ACD/IUPAC Name]
O-[5-({(4S)-3-[(Benzyloxy)carbonyl]-2,2-diméthyl-1,3-oxazolidin-4-yl}méthyl)-2-méthoxyphényl]-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-tyrosine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 756.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.4±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 170.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 10.85
ACD/KOC (pH 5.5): 35.51
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.80
Polar Surface Area: 133 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 519.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement