(5S,10R,5'S,10'R)-N,N'-(2-Oxo-1,4-Butanediyl)Bis(7,9-Dibromo-10-Hydroxy-8-Methoxy-1-Oxa-2-Azaspiro[4.5]Deca-2,6,8-Triene-3-Carboxamide)

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Properties Simple | Detailed

Formula C24H24Br4N4O9
IUPAC Name (5s,6r)-7,9-dibromo-n-[4-[[(5s,6r)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-oxo-butyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Molecular Mass 832.085 g·mol−1
Heat of Formation -813.1 ± 16.7 kJ·mol−1
Dipole Moment 0.62 ± 1.08 D
Volume 716.54 Å 3
Surface Area 516.53 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6r)-7,9-dibromo-n-[4-[[(5s,6r)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-trien-3-yl]carbonylamino]-3-oxo-butyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
  • (5s,6r)-7,9-dibromo-n-[4-[[(5s,6r)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-keto-butyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
  • (5s,6r)-7,9-dibromo-n-[4-[[(5s,6r)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-oxo-butyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
  • (5s,6r)-7,9-dibromo-n-[4-[[[(5s,6r)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-trien-3-yl]-oxomethyl]amino]-3-oxobutyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
  • 11-oxoxyaerothionin
InChIKey LPBNXOLVSVGFDX-UWXQAFAOSA-N
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