ChemSpider 2D Image | N-{2-Hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-{4-[(~2~H_3_)methyloxy]phenyl}-2-propanyl]amino}ethyl]phenyl}formamide | C19H21D3N2O4

N-{2-Hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-{4-[(2H3)methyloxy]phenyl}-2-propanyl]amino}ethyl]phenyl}formamide

  • Molecular FormulaC19H21D3N2O4
  • Average mass347.423 Da
  • Monoisotopic mass347.192444 Da
  • ChemSpider ID114392755
  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

Formamide, N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-1-methyl-2-[4-(methyl-d3-oxy)phenyl]ethyl]amino]ethyl]phenyl]- [ACD/Index Name]
N-{2-Hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-{4-[(2H3)methyloxy]phenyl}-2-propanyl]amino}ethyl]phenyl}formamid [German] [ACD/IUPAC Name]
N-{2-Hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-{4-[(2H3)methyloxy]phenyl}-2-propanyl]amino}ethyl]phenyl}formamide [ACD/IUPAC Name]
N-{2-Hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-{4-[(2H3)méthyloxy]phényl}-2-propanyl]amino}éthyl]phényl}formamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 603.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 318.6±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.95
Polar Surface Area: 91 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 279.1±3.0 cm3

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