ChemSpider 2D Image | 2-{[(2R)-2-Hydroxy-3-(9-phenanthryloxy)propyl]amino}-1,3-propanediol | C20H23NO4

2-{[(2R)-2-Hydroxy-3-(9-phenanthryloxy)propyl]amino}-1,3-propanediol

  • Molecular FormulaC20H23NO4
  • Average mass341.401 Da
  • Monoisotopic mass341.162720 Da
  • ChemSpider ID25058354
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1,3-Propanediol, 2-[[(2R)-2-hydroxy-3-(9-phenanthrenyloxy)propyl]amino]- [ACD/Index Name]
2-{[(2R)-2-Hydroxy-3-(9-phenanthryloxy)propyl]amino}-1,3-propandiol [German] [ACD/IUPAC Name]
2-{[(2R)-2-Hydroxy-3-(9-phenanthryloxy)propyl]amino}-1,3-propanediol [ACD/IUPAC Name]
2-{[(2R)-2-Hydroxy-3-(9-phénanthryloxy)propyl]amino}-1,3-propanediol [French] [ACD/IUPAC Name]
2-{[(2r)-2-Hydroxy-3-(9-Phenanthryloxy)propyl]amino}propane-1,3-Diol
XX6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 624.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 331.2±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 99.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.68
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 15.21
ACD/KOC (pH 7.4): 176.70
Polar Surface Area: 82 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 266.3±3.0 cm3

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