ChemSpider 2D Image | DES(PHENYLBUTOXY)(1-METHYL-3-PHENYL)PROPOXY SALMETEROL | C25H37NO4

DES(PHENYLBUTOXY)(1-METHYL-3-PHENYL)PROPOXY SALMETEROL

  • Molecular FormulaC25H37NO4
  • Average mass415.566 Da
  • Monoisotopic mass415.272247 Da
  • ChemSpider ID26540474

More details:

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

1,3-Benzenedimethanol, 4-hydroxy-α1-[[[6-(1-methyl-3-phenylpropoxy)hexyl]amino]methyl]- [ACD/Index Name]
108928-81-0 [RN]
2-(Hydroxymethyl)-4-[1-hydroxy-2-({6-[(4-phenyl-2-butanyl)oxy]hexyl}amino)ethyl]phenol [German] [ACD/IUPAC Name]
2-(Hydroxymethyl)-4-[1-hydroxy-2-({6-[(4-phenyl-2-butanyl)oxy]hexyl}amino)ethyl]phenol [ACD/IUPAC Name]
2-(Hydroxyméthyl)-4-[1-hydroxy-2-({6-[(4-phényl-2-butanyl)oxy]hexyl}amino)éthyl]phénol [French] [ACD/IUPAC Name]
DES(PHENYLBUTOXY)(1-METHYL-3-PHENYL)PROPOXY SALMETEROL
1-[4-HYDROXY-3-(HYDROXYMETHYL)PHENYL]-2-[[6-(1-METHYL-3-PHENYLPROPOXY)HEXYL]AMINO]ETHANOL
2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutan-2-yloxy)hexylamino]ethyl]phenol
4-(1-Hydroxy-2-((6-((4-phenylbutan-2-yl)oxy)hexyl)amino)ethyl)-2-(hydroxymethyl)phenol
4-(1-HYDROXY-2-[6-(4-PHENYLBUTAN-2-YLOXY)HEXYLAMINO]ETHYL)-2-(HYDROXYMETHYL)PHENOL
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

R6O50AN25U [DBID]
UNII:R6O50AN25U [DBID]

    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

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