ChemSpider 2D Image | Artesunate-d4 | C19H24D4O8

Artesunate-d4

  • Molecular FormulaC19H24D4O8
  • Average mass388.445 Da
  • Monoisotopic mass388.203522 Da
  • ChemSpider ID48059161

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1316753-15-7 [RN]
4-Oxo-4-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}(2H4)butanoic acid [ACD/IUPAC Name]
4-Oxo-4-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}(2H4)butansäure [German] [ACD/IUPAC Name]
Acide 4-oxo-4-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadéc-10-yl]oxy}(2H4)butanoïque [French] [ACD/IUPAC Name]
Artesunate-d4
Butanedioic-d4 acid, mono[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester [ACD/Index Name]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 507.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 85.1±6.0 kJ/mol
    Flash Point: 175.6±23.6 °C
    Index of Refraction: 1.544
    Molar Refractivity: 92.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.94
    ACD/LogD (pH 5.5): 1.56
    ACD/BCF (pH 5.5): 4.54
    ACD/KOC (pH 5.5): 45.40
    ACD/LogD (pH 7.4): -0.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 101 Å2
    Polarizability: 36.6±0.5 10-24cm3
    Surface Tension: 51.4±5.0 dyne/cm
    Molar Volume: 292.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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