ChemSpider 2D Image | Salmeterol-d3 | C25H34D3NO4

Salmeterol-d3

  • Molecular FormulaC25H34D3NO4
  • Average mass418.584 Da
  • Monoisotopic mass418.291077 Da
  • ChemSpider ID9113901
  • Non-standard isotope - Non-standard isotope


More details:






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

1,3-Benzenedimethan113-d3-ol, 6-hydroxy-α3-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]- [ACD/Index Name]
2-[Hydroxy(2H2)methyl]-4-[1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}(1-2H)ethyl]phenol [ACD/IUPAC Name]
2-[Hydroxy(2H2)methyl]-4-[1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}(1-2H)ethyl]phenol [German] [ACD/IUPAC Name]
2-[Hydroxy(2H2)méthyl]-4-[1-hydroxy-2-{[6-(4-phénylbutoxy)hexyl]amino}(1-2H)éthyl]phénol [French] [ACD/IUPAC Name]
497063-94-2 [RN]
Salmeterol-d3
(?)-4-Hydroxy-a1-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-1,3-benzenedimethanol
(?)-Salmeterol-d3 (3-hydroxymethyl-d2; α-d1)
4-[1-deuterio-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-[dideuterio(hydroxy)methyl]phenol
Salmeterol D3 (3-hydroxymethyl D2, α D1) 100 µg/mL in Acetone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 603.0±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: 318.5±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.97
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 6.53
ACD/KOC (pH 7.4): 37.89
Polar Surface Area: 82 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 373.7±3.0 cm3

Click to predict properties on the Chemicalize site






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