({(E)-[(6Ar,9Ar)-9A-Hydroxy-4-Methoxy-11-Oxo-3,6A,9A,11-Tetrahydrocyclopenta[C]Furo[3',2':4,5]Furo[2,3-H]Chromen-1(2H)-Ylidene]Amino}Oxy)Acetic Acid

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Properties Simple | Detailed

Formula C19H16NO9+
IUPAC Name ({(e)-[(6ar,9ar)-9a-hydroxy-4-methoxy-11-oxo-3,6a,9a,11-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-1(2h)-ylidene]amino}oxy)acetic acid
Molecular Mass 402.332 g·mol−1
Heat of Formation -1055.5 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 418.54 Å 3
Surface Area 370.45 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • (6ar-cis)-(((3,6a,9a,11-tetrahydro-9a-hydroxy-4-methoxy-11-oxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1(2h)-ylidene)amino)oxy)acetic acid
  • acetic acid, (((3,6a,9a,11-tetrahydro-9a-hydroxy-4-methoxy-11-oxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1(2h)-ylidene)amino)oxy)-, (6ar-cis)-
  • aflatoxin m1-(o-carboxymethyl)oxime
  • afmocm
CAS Number(s)
  • 127862-46-8
InChIKey KDQXYCUSOMGQMS-CXHUKFPDSA-N
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