14-Debromoaraplysillin I

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Properties Simple | Detailed

Formula C21H24Br3N3O5
IUPAC Name (5s,6r)-n-[3-[4-(2-aminoethyl)-2-bromo-phenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Molecular Mass 638.144 g·mol−1
Heat of Formation -442.8 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 563.46 Å 3
Surface Area 404.45 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6r)-n-[3-[4-(2-aminoethyl)-2-bromo-phenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
  • (5s,6r)-n-[3-[4-(2-aminoethyl)-2-bromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
InChIKey NMQGCYQSHLBLKC-PZJWPPBQSA-N
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Elements H C O Br N