Found 21 results

Search term: MF = 'C_{28}H_{36}N_{2}O_{9}S'
ChemSpider 2D Image | Ethyl 1-(N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}tyrosyl)-4-piperidinecarboxylate | C28H36N2O9S

Ethyl 1-(N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}tyrosyl)-4-piperidinecarboxylate

  • Molecular FormulaC28H36N2O9S
  • Average mass576.658 Da
  • Monoisotopic mass576.214172 Da
  • ChemSpider ID121703459

More details:

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

1-(N-{3-[(3,4-Diméthoxyphényl)sulfonyl]propanoyl}tyrosyl)-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[[3-[(3,4-dimethoxyphenyl)sulfonyl]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-(N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}tyrosyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-(N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}tyrosyl)-4-piperidincarboxylat [German] [ACD/IUPAC 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: 844.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 464.7±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.64
ACD/KOC (pH 5.5): 364.79
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.54
ACD/KOC (pH 7.4): 363.39
Polar Surface Area: 157 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 448.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement