ChemSpider 2D Image | 2-(Hydroxymethyl)-4-{(1R)-1-hydroxy-2-[(6-{[(2S)-4-phenyl-2-butanyl]oxy}hexyl)amino]ethyl}phenol | C25H37NO4

2-(Hydroxymethyl)-4-{(1R)-1-hydroxy-2-[(6-{[(2S)-4-phenyl-2-butanyl]oxy}hexyl)amino]ethyl}phenol

  • Molecular FormulaC25H37NO4
  • Average mass415.566 Da
  • Monoisotopic mass415.272247 Da
  • ChemSpider ID34993623

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenedimethanol, 4-hydroxy-α1-[[[6-[(1S)-1-methyl-3-phenylpropoxy]hexyl]amino]methyl]-, (α1R)- [ACD/Index Name]
2-(Hydroxymethyl)-4-{(1R)-1-hydroxy-2-[(6-{[(2S)-4-phenyl-2-butanyl]oxy}hexyl)amino]ethyl}phenol [German] [ACD/IUPAC Name]
2-(Hydroxymethyl)-4-{(1R)-1-hydroxy-2-[(6-{[(2S)-4-phenyl-2-butanyl]oxy}hexyl)amino]ethyl}phenol [ACD/IUPAC Name]
2-(Hydroxyméthyl)-4-{(1R)-1-hydroxy-2-[(6-{[(2S)-4-phényl-2-butanyl]oxy}hexyl)amino]éthyl}phénol [French] [ACD/IUPAC Name]
108928-81-0 [RN]
DES(PHENYLBUTOXY)(1-METHYL-3-PHENYL)PROPOXY SALMETEROL
UNII-R6O50AN25U

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 598.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 315.7±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.69
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 8.88
ACD/KOC (pH 7.4): 47.28
Polar Surface Area: 82 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 374.1±3.0 cm3

Click to predict properties on the Chemicalize site


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