8-Benzoyl-2-[(3E)-1,2-Dihydroxy-3-Hexen-1-Yl]-9-Hydroxy-8-Methoxy-3-Methyl-1-Oxa-7-Azaspiro[4.4]Non-2-Ene-4,6-Dione

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Properties Simple | Detailed

Formula C22H25NO8
IUPAC Name (5s,8s,9r)-8-benzoyl-2-[(e,1s,2r)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Molecular Mass 431.436 g·mol−1
Heat of Formation -1184.1 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 499.53 Å 3
Surface Area 383.19 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
InChIKey SLYDIPAXCVVRNY-GYZIYDKASA-N
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