ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-N-methyl-O-(2-methyl-2-propanyl)-L-tyrosine | C22H27NO5

N-[(Benzyloxy)carbonyl]-N-methyl-O-(2-methyl-2-propanyl)-L-tyrosine

  • Molecular FormulaC22H27NO5
  • Average mass385.453 Da
  • Monoisotopic mass385.188934 Da
  • ChemSpider ID32056168

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Tyrosine, O-(1,1-dimethylethyl)-N-methyl-N-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-N-methyl-O-(2-methyl-2-propanyl)-L-tyrosin [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-N-methyl-O-(2-methyl-2-propanyl)-L-tyrosine [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-N-méthyl-O-(2-méthyl-2-propanyl)-L-tyrosine [French] [ACD/IUPAC Name]
(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
(2S)-2-{[(Benzyloxy)carbonyl](methyl)amino}-3-[4-(tert-butoxy)phenyl]propanoic acid
(S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid
67586-06-5 [RN]
CS-4339
MFCD02684451 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 537.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 278.6±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 5.50
ACD/KOC (pH 5.5): 20.71
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.91
Polar Surface Area: 76 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 328.3±3.0 cm3

Click to predict properties on the Chemicalize site


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