ChemSpider 2D Image | 2-Methyl-2-propanyl 1-[(4-nitrophenyl)sulfonyl]-L-prolyl-O-(dimethylcarbamoyl)-L-tyrosinate | C27H34N4O9S

2-Methyl-2-propanyl 1-[(4-nitrophenyl)sulfonyl]-L-prolyl-O-(dimethylcarbamoyl)-L-tyrosinate

  • Molecular FormulaC27H34N4O9S
  • Average mass590.645 Da
  • Monoisotopic mass590.204651 Da
  • ChemSpider ID8591433

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(4-Nitrophényl)sulfonyl]-L-prolyl-O-(diméthylcarbamoyl)-L-tyrosinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-[(4-nitrophenyl)sulfonyl]-L-prolyl-O-(dimethylcarbamoyl)-L-tyrosinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-[(4-nitrophenyl)sulfonyl]-L-prolyl-O-(dimethylcarbamoyl)-L-tyrosinat [German] [ACD/IUPAC Name]
L-Tyrosine, 1-[(4-nitrophenyl)sulfonyl]-L-prolyl-O-[(dimethylamino)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: 1.586
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 345.76
ACD/KOC (pH 5.5): 2284.86
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 345.76
ACD/KOC (pH 7.4): 2284.85
Polar Surface Area: 177 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 444.0±3.0 cm3

Click to predict properties on the Chemicalize site


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