ChemSpider 2D Image | (6aR,9aS)-4-[(~2~H_3_)Methyloxy]-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione | C17H9D3O6

(6aR,9aS)-4-[(2H3)Methyloxy]-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione

  • Molecular FormulaC17H9D3O6
  • Average mass315.292 Da
  • Monoisotopic mass315.082214 Da
  • ChemSpider ID48058845

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6aR,9aS)-4-[(2H3)Methyloxy]-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-1,11-dion [German] [ACD/IUPAC Name]
(6aR,9aS)-4-[(2H3)Methyloxy]-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione [ACD/IUPAC Name]
(6aR,9aS)-4-[(2H3)Méthyloxy]-2,3,6a,9a-tétrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromène-1,11-dione [French] [ACD/IUPAC Name]
Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-(methyl-d3-oxy)-, (6aR,9aS)- [ACD/Index Name]
1217702-31-2 [RN]
AFLATOXIN B1-D3

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 528.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.3±3.0 kJ/mol
    Flash Point: 237.7±30.2 °C
    Index of Refraction: 1.687
    Molar Refractivity: 76.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.45
    ACD/LogD (pH 5.5): 1.08
    ACD/BCF (pH 5.5): 3.91
    ACD/KOC (pH 5.5): 92.32
    ACD/LogD (pH 7.4): 1.08
    ACD/BCF (pH 7.4): 3.91
    ACD/KOC (pH 7.4): 92.32
    Polar Surface Area: 71 Å2
    Polarizability: 30.1±0.5 10-24cm3
    Surface Tension: 68.7±5.0 dyne/cm
    Molar Volume: 199.6±5.0 cm3

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