ChemSpider 2D Image | Artemisinin-d3 | C15H19D3O5

Artemisinin-d3

  • Molecular FormulaC15H19D3O5
  • Average mass285.351 Da
  • Monoisotopic mass285.165558 Da
  • ChemSpider ID8954813

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,4S,5R,8S,9R,12S,13R)-1,5-Dimethyl-9-(2H3)methyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-on [German] [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,12S,13R)-1,5-Dimethyl-9-(2H3)methyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,12S,13R)-1,5-Diméthyl-9-(2H3)méthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadécan-10-one [French] [ACD/IUPAC Name]
176652-07-6 [RN]
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6-dimethyl-9-(methyl-d3)-, (3R,5aS,6R,8aS,9R,12S,12aR)- [ACD/Index Name]
Artemisinin-d3
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6-dimethyl-9-(methyl-d3)-, [3R-(3α,5aβ,6β,8aβ,9α,12β,12aR*)]- (9CI)

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 389.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.9±3.0 kJ/mol
    Flash Point: 172.0±27.9 °C
    Index of Refraction: 1.533
    Molar Refractivity: 70.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.27
    ACD/LogD (pH 5.5): 2.79
    ACD/BCF (pH 5.5): 78.24
    ACD/KOC (pH 5.5): 788.70
    ACD/LogD (pH 7.4): 2.79
    ACD/BCF (pH 7.4): 78.24
    ACD/KOC (pH 7.4): 788.70
    Polar Surface Area: 54 Å2
    Polarizability: 27.9±0.5 10-24cm3
    Surface Tension: 43.5±5.0 dyne/cm
    Molar Volume: 226.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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