ChemSpider 2D Image | (6aR,9aR)-9a-Hydroxy-4-[(~2~H_3_)methyloxy]-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione | C17H9D3O7

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

  • Molecular FormulaC17H9D3O7
  • Average mass331.292 Da
  • Monoisotopic mass331.077118 Da
  • ChemSpider ID48058849

  • 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,9aR)-9a-Hydroxy-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,9aR)-9a-Hydroxy-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,9aR)-9a-Hydroxy-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-9a-hydroxy-4-(methyl-d3-oxy)-, (6aR,9aR)- [ACD/Index Name]
1330042-13-1 [RN]
AFLATOXIN M1-D3

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 644.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.9±3.0 kJ/mol
    Flash Point: 246.1±25.0 °C
    Index of Refraction: 1.718
    Molar Refractivity: 77.6±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.35
    ACD/LogD (pH 5.5): 0.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 33.53
    ACD/LogD (pH 7.4): 0.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 33.52
    Polar Surface Area: 91 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 80.9±5.0 dyne/cm
    Molar Volume: 196.7±5.0 cm3

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