ChemSpider 2D Image | 2-Methyl-2-propanyl 1-[(4-methylphenyl)sulfonyl]-L-prolyl-O-[(2-hydroxyethyl)(methyl)carbamoyl]-L-tyrosinate | C29H39N3O8S

2-Methyl-2-propanyl 1-[(4-methylphenyl)sulfonyl]-L-prolyl-O-[(2-hydroxyethyl)(methyl)carbamoyl]-L-tyrosinate

  • Molecular FormulaC29H39N3O8S
  • Average mass589.700 Da
  • Monoisotopic mass589.245789 Da
  • ChemSpider ID8658937

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(4-Méthylphényl)sulfonyl]-L-prolyl-O-[(2-hydroxyéthyl)(méthyl)carbamoyl]-L-tyrosinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-[(4-methylphenyl)sulfonyl]-L-prolyl-O-[(2-hydroxyethyl)(methyl)carbamoyl]-L-tyrosinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-[(4-methylphenyl)sulfonyl]-L-prolyl-O-[(2-hydroxyethyl)(methyl)carbamoyl]-L-tyrosinat [German] [ACD/IUPAC Name]
L-Tyrosine, 1-[(4-methylphenyl)sulfonyl]-L-prolyl-O-[[(2-hydroxyethyl)methylamino]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 153.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 206.49
ACD/KOC (pH 5.5): 1579.83
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.49
ACD/KOC (pH 7.4): 1579.83
Polar Surface Area: 151 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 462.4±3.0 cm3

Click to predict properties on the Chemicalize site


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