(8S,18S)-1,8,11,18-Tetrahydroxy-1,6,11,16-Tetraazacycloicosane-2,5,12,15-Tetrone

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Formula C16H28N4O8
IUPAC Name (8s,18s)-1,8,11,18-tetrahydroxy-1,6,11,16-tetrazacycloicosane-2,5,12,15-tetrone
Molecular Mass 404.416 g·mol−1
Heat of Formation -1348.9 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 491.63 Å 3
Surface Area 361.07 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,18s)-1,8,11,18-tetrahydroxy-1,6,11,16-tetrazacycloicosane-2,5,12,15-diquinone
  • (8s,18s)-1,8,11,18-tetrahydroxy-1,6,11,16-tetrazacycloicosane-2,5,12,15-tetrone
  • 1,6,11,16-tetraazacycloeicosane-2,5,12,15-tetrone, 1,8,11,18-tetrahydroxy-, [8s-(8r*,18r*)]-
InChIKey OZZLZFXDNDCIOU-RYUDHWBXSA-N
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