(–)-Aflatoxin B1

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Properties Simple | Detailed

Formula C17H12O6
IUPAC Name (–)-aflatoxin b1
Molecular Mass 312.274 g·mol−1
Heat of Formation -704.4 ± 16.7 kJ·mol−1
Dipole Moment 8.11 ± 1.08 D
Volume 327.99 Å 3
Surface Area 293.81 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (6ar,9as)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
  • aflatoxin b1 aspergillus flavus
  • aflatoxin b1 solution
  • cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-
InChIKey OQIQSTLJSLGHID-WNWIJWBNSA-N
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