Aspergillusol A

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Properties Simple | Detailed

Formula C22H24N2O10
IUPAC Name [(2s,3r)-2,3-dihydroxy-4-[(2z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoyl]oxy-butyl] (2z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoate
Molecular Mass 476.433 g·mol−1
Heat of Formation -1362.8 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 541.35 Å 3
Surface Area 381.79 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
InChIKey BXRQJOBHKCDAJW-KMMADPOHSA-N
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