ChemSpider 2D Image | 4,5-Dideoxy-5-(3',5'-dichloro-4-biphenylyl)-4-[(methoxyacetyl)amino]-L-xylonic acid | C20H21Cl2NO6

4,5-Dideoxy-5-(3',5'-dichloro-4-biphenylyl)-4-[(methoxyacetyl)amino]-L-xylonic acid

  • Molecular FormulaC20H21Cl2NO6
  • Average mass442.290 Da
  • Monoisotopic mass441.074585 Da
  • ChemSpider ID68009315

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4,5-Dideoxy-5-(3',5'-dichloro-4-biphenylyl)-4-[(methoxyacetyl)amino]-L-xylonic acid [ACD/IUPAC Name]
4,5-Didesoxy-5-(3',5'-dichlor-4-biphenylyl)-4-[(methoxyacetyl)amino]-L-xylonsäure [German] [ACD/IUPAC Name]
Acide 4,5-didésoxy-5-(3',5'-dichloro-4-biphénylyl)-4-[(2-méthoxyacétyl)amino]-L-xylonique [French] [ACD/IUPAC Name]
L-Xylonic acid, 4,5-dideoxy-5-(3',5'-dichloro[1,1'-biphenyl]-4-yl)-4-[(2-methoxyacetyl)amino]- [ACD/Index Name]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 755.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 115.5±3.0 kJ/mol
    Flash Point: 410.8±32.9 °C
    Index of Refraction: 1.604
    Molar Refractivity: 107.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 2.79
    ACD/LogD (pH 5.5): -0.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.21
    ACD/LogD (pH 7.4): -1.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 116 Å2
    Polarizability: 42.8±0.5 10-24cm3
    Surface Tension: 58.7±3.0 dyne/cm
    Molar Volume: 313.5±3.0 cm3

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