ChemSpider 2D Image | N-[2-{3,4-Bis[(1-hydroxyvinyl)oxy]phenyl}-2-(2-{1-hydroxy-2-[(1-hydroxyvinyl)(methyl)amino]ethyl}-4,5-bis[(1-hydroxyvinyl)oxy]phenyl)ethyl]propanamide | C30H36N2O11

N-[2-{3,4-Bis[(1-hydroxyvinyl)oxy]phenyl}-2-(2-{1-hydroxy-2-[(1-hydroxyvinyl)(methyl)amino]ethyl}-4,5-bis[(1-hydroxyvinyl)oxy]phenyl)ethyl]propanamide

  • Molecular FormulaC30H36N2O11
  • Average mass600.614 Da
  • Monoisotopic mass600.231934 Da
  • ChemSpider ID95704113

More details:

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

N-[2-{3,4-Bis[(1-hydroxyvinyl)oxy]phenyl}-2-(2-{1-hydroxy-2-[(1-hydroxyvinyl)(methyl)amino]ethyl}-4,5-bis[(1-hydroxyvinyl)oxy]phenyl)ethyl]propanamid [German] [ACD/IUPAC Name]
N-[2-{3,4-Bis[(1-hydroxyvinyl)oxy]phenyl}-2-(2-{1-hydroxy-2-[(1-hydroxyvinyl)(methyl)amino]ethyl}-4,5-bis[(1-hydroxyvinyl)oxy]phenyl)ethyl]propanamide [ACD/IUPAC Name]
N-[2-{3,4-Bis[(1-hydroxyvinyl)oxy]phényl}-2-(2-{1-hydroxy-2-[(1-hydroxyvinyl)(méthyl)amino]éthyl}-4,5-bis[(1-hydroxyvinyl)oxy]phényl)éthyl]propanamide [French] [ACD/IUPAC Name]
Propanamide, N-[2-[4,5-bis[(1-hydroxyethenyl)oxy]-2-[1-hydroxy-2-[(1-hydroxyethenyl)methylamino]ethyl]phenyl]-2-[3,4-bis[(1-hydroxyethenyl)oxy]phenyl]ethyl]- [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: 924.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.8±3.0 kJ/mol
Flash Point: 512.8±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 157.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 119.43
ACD/KOC (pH 5.5): 970.22
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 152.74
ACD/KOC (pH 7.4): 1240.84
Polar Surface Area: 191 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 453.4±3.0 cm3

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