Aplysinamisine Ii

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Properties Simple | Detailed

Formula C16H23Br2N5O4
IUPAC Name (5s,6r)-7,9-dibromo-n-(5-guanidinopentyl)-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Molecular Mass 509.193 g·mol−1
Heat of Formation -351.2 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 494.46 Å 3
Surface Area 397.79 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6r)-7,9-dibromo-n-(5-guanidinopentyl)-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
  • (5s,6r)-7,9-dibromo-n-[5-(diaminomethylideneamino)pentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
InChIKey GCYSDIFCRYTRFB-XJKSGUPXSA-N
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Elements H C O Br N