ChemSpider 2D Image | O-Methyl-Nalpha-{[(1S,3R,4R,5S)-1,3,4-trihydroxy-5-{[(4-methylphenyl)carbamoyl]amino}cyclohexyl]carbonyl}-L-tyrosinamide | C25H32N4O7

O-Methyl-Nα-{[(1S,3R,4R,5S)-1,3,4-trihydroxy-5-{[(4-methylphenyl)carbamoyl]amino}cyclohexyl]carbonyl}-L-tyrosinamide

  • Molecular FormulaC25H32N4O7
  • Average mass500.544 Da
  • Monoisotopic mass500.227112 Da
  • ChemSpider ID10056897

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzenepropanamide, 4-methoxy-α-[[[(1S,3R,4R,5S)-1,3,4-trihydroxy-5-[[[(4-methylphenyl)amino]carbonyl]amino]cyclohexyl]carbonyl]amino]-, (αS)- [ACD/Index Name]
O-Methyl-Nα-{[(1S,3R,4R,5S)-1,3,4-trihydroxy-5-{[(4-methylphenyl)carbamoyl]amino}cyclohexyl]carbonyl}-L-tyrosinamid [German] [ACD/IUPAC Name]
O-Methyl-Nα-{[(1S,3R,4R,5S)-1,3,4-trihydroxy-5-{[(4-methylphenyl)carbamoyl]amino}cyclohexyl]carbonyl}-L-tyrosinamide [ACD/IUPAC Name]
O-Méthyl-Nα-{[(1S,3R,4R,5S)-1,3,4-trihydroxy-5-{[(4-méthylphényl)carbamoyl]amino}cyclohexyl]carbonyl}-L-tyrosinamide [French] [ACD/IUPAC Name]

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

ZINC04221875 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 814.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 446.2±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.98
ACD/KOC (pH 5.5): 56.63
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 56.63
Polar Surface Area: 183 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 359.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement