ChemSpider 2D Image | 4-HYDROXYATOMOXETINE-O-GLUCURONIDE | C23H29NO8

4-HYDROXYATOMOXETINE-O-GLUCURONIDE

  • Molecular FormulaC23H29NO8
  • Average mass447.478 Da
  • Monoisotopic mass447.189331 Da
  • ChemSpider ID44750359

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

3-Methyl-4-[(1R)-3-(methylamino)-1-phenylpropoxy]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
3-Methyl-4-[(1R)-3-(methylamino)-1-phenylpropoxy]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
4-HYDROXYATOMOXETINE-O-GLUCURONIDE
540729-08-6 [RN]
Acide β-D-glucopyranosiduronique de 3-méthyl-4-[(1R)-3-(méthylamino)-1-phénylpropoxy]phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 3-methyl-4-[(1R)-3-(methylamino)-1-phenylpropoxy]phenyl [ACD/Index Name]
3-Methyl-4-[(1R)-3-(methylamino)-1-phenylpropoxy]phenyl-(5?)-?-D-lyxo-hexopyranosiduronic acid
4'-Hydroxy atomoxetine b-D-glucuronide

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

UUS82IU3JO [DBID]
UNII:UUS82IU3JO [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 706.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.5±3.0 kJ/mol
    Flash Point: 381.0±32.9 °C
    Index of Refraction: 1.615
    Molar Refractivity: 115.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 5
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 0.32
    ACD/LogD (pH 5.5): -2.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 138 Å2
    Polarizability: 45.7±0.5 10-24cm3
    Surface Tension: 64.4±3.0 dyne/cm
    Molar Volume: 330.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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