ChemSpider 2D Image | 1-[(2E)-2-{[(1E)-2-Acetamido-1-hydroxy-4-methyl-1-penten-1-yl]imino}-1-hydroxypropyl]-N-[(1Z)-1-hydroxy-3-methyl-1-(methylamino)-1-buten-2-yl]prolinamide | C22H39N5O5

1-[(2E)-2-{[(1E)-2-Acetamido-1-hydroxy-4-methyl-1-penten-1-yl]imino}-1-hydroxypropyl]-N-[(1Z)-1-hydroxy-3-methyl-1-(methylamino)-1-buten-2-yl]prolinamide

  • Molecular FormulaC22H39N5O5
  • Average mass453.576 Da
  • Monoisotopic mass453.295105 Da
  • ChemSpider ID95750000

More details:

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

1-[(2E)-2-{[(1E)-2-Acetamido-1-hydroxy-4-methyl-1-penten-1-yl]imino}-1-hydroxypropyl]-N-[(1Z)-1-hydroxy-3-methyl-1-(methylamino)-1-buten-2-yl]prolinamid [German] [ACD/IUPAC Name]
1-[(2E)-2-{[(1E)-2-Acetamido-1-hydroxy-4-methyl-1-penten-1-yl]imino}-1-hydroxypropyl]-N-[(1Z)-1-hydroxy-3-methyl-1-(methylamino)-1-buten-2-yl]prolinamide [ACD/IUPAC Name]
1-[(2E)-2-{[(1E)-2-Acétamido-1-hydroxy-4-méthyl-1-pentén-1-yl]imino}-1-hydroxypropyl]-N-[(1Z)-1-hydroxy-3-méthyl-1-(méthylamino)-1-butén-2-yl]prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(2E)-2-[[(1E)-2-(acetylamino)-1-hydroxy-4-methyl-1-penten-1-yl]imino]-1-hydroxypropyl]-N-[(1Z)-1-[hydroxy(methylamino)methylene]-2-methylpropyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 677.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±6.0 kJ/mol
Flash Point: 363.7±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 120.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 20.69
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.10
ACD/KOC (pH 7.4): 199.00
Polar Surface Area: 147 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 367.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement