ChemSpider 2D Image | 1-Methyl-L-prolyl-O-{[2-(dimethylamino)ethyl](methyl)carbamoyl}-N-[(4-methylphenyl)sulfonyl]-D-tyrosine | C28H38N4O7S

1-Methyl-L-prolyl-O-{[2-(dimethylamino)ethyl](methyl)carbamoyl}-N-[(4-methylphenyl)sulfonyl]-D-tyrosine

  • Molecular FormulaC28H38N4O7S
  • Average mass574.689 Da
  • Monoisotopic mass574.246094 Da
  • ChemSpider ID9738004

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Methyl-L-prolyl-O-{[2-(dimethylamino)ethyl](methyl)carbamoyl}-N-[(4-methylphenyl)sulfonyl]-D-tyrosin [German] [ACD/IUPAC Name]
1-Methyl-L-prolyl-O-{[2-(dimethylamino)ethyl](methyl)carbamoyl}-N-[(4-methylphenyl)sulfonyl]-D-tyrosine [ACD/IUPAC Name]
1-Méthyl-L-prolyl-O-{[2-(diméthylamino)éthyl](méthyl)carbamoyl}-N-[(4-méthylphényl)sulfonyl]-D-tyrosine [French] [ACD/IUPAC Name]
D-Tyrosine, 1-methyl-L-prolyl-O-[[[2-(dimethylamino)ethyl]methylamino]carbonyl]-N-[(4-methylphenyl)sulfonyl]- [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: 708.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.4±35.7 °C
Index of Refraction: 1.592
Molar Refractivity: 151.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.30
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 136 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 447.6±3.0 cm3

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