ChemSpider 2D Image | Aflatoxin M1 | C17H12O7

Aflatoxin M1

  • Molecular FormulaC17H12O7
  • Average mass328.273 Da
  • Monoisotopic mass328.058289 Da
  • ChemSpider ID21169428

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,9aR)-9a-Hydroxy-4-methoxy-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-methoxy-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-méthoxy-2,3,6a,9a-tétrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromène-1,11-dione [French] [ACD/IUPAC Name]
200-835-2 [EINECS]
4-Hydroxyaflatoxin B1
6795-23-9 [RN]
Aflatoxin M1
Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxy-, (6aR,9aR)- [ACD/Index Name]
MFCD00871812
(3R,7R)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1630643 [DBID]
I3020O28I3 [DBID]
34031_RIEDEL [DBID]
46319U_SUPELCO [DBID]
A6428_SIGMA [DBID]
BCR423RM_FLUKA [DBID]
UNII:I3020O28I3 [DBID]
UNII-I3020O28I3 [DBID]

    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

    Click to predict properties on the Chemicalize site


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