ChemSpider 2D Image | N-{2-Hydroxy-5-[(1S)-1-hydroxy-2-{[1-(4-methoxyphenyl)(~2~H_6_)-2-propanyl]amino}ethyl]phenyl}formamide | C19H18D6N2O4

N-{2-Hydroxy-5-[(1S)-1-hydroxy-2-{[1-(4-methoxyphenyl)(2H6)-2-propanyl]amino}ethyl]phenyl}formamide

  • Molecular FormulaC19H18D6N2O4
  • Average mass350.442 Da
  • Monoisotopic mass350.211273 Da
  • ChemSpider ID94270030
  • defined stereocentres - 1 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-[(1S)-1-hydroxy-2-[[1-[(4-methoxyphenyl)methyl-d2]ethyl-1,2,2,2-d4]amino]ethyl]phenyl]- [ACD/Index Name]
N-{2-Hydroxy-5-[(1S)-1-hydroxy-2-{[1-(4-methoxyphenyl)(2H6)-2-propanyl]amino}ethyl]phenyl}formamid [German] [ACD/IUPAC Name]
N-{2-Hydroxy-5-[(1S)-1-hydroxy-2-{[1-(4-methoxyphenyl)(2H6)-2-propanyl]amino}ethyl]phenyl}formamide [ACD/IUPAC Name]
N-{2-Hydroxy-5-[(1S)-1-hydroxy-2-{[1-(4-méthoxyphényl)(2H6)-2-propanyl]amino}éthyl]phényl}formamide [French] [ACD/IUPAC Name]
1020719-45-2 [RN]
Formoterol-D6 (mixture of dialtereomers)

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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