Pyridomycin

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Properties Simple | Detailed

Formula C27H34N4O8
IUPAC Name 5-hydroxy-n-[(2z,5r,6s,9s,10s,11r)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(pyridin-1-ium-3-id-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3h-pyridin-1-ium-3-ide-6-carboxamide
Molecular Mass 542.581 g·mol−1
Heat of Formation -1244.8 ± 16.7 kJ·mol−1
Dipole Moment 8.47 ± 1.08 D
Volume 620.98 Å 3
Surface Area 452.74 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hydroxy-n-[(2z,5r,6s,9s,10s,11r)-10-hydroxy-3,7,12-triketo-5,11-dimethyl-2-(1-methylpropylidene)-9-(3-pyridylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]picolinamide
  • 3-hydroxy-n-[(2z,5r,6s,9s,10s,11r)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-2-pyridinecarboxamide
  • 3-hydroxy-n-[(2z,5r,6s,9s,10s,11r)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide
  • n-[(2z,5r,6s,9s,10s,11r)-2-butan-2-ylidene-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-hydroxy-pyridine-2-carboxamide
  • n-[(2z,5r,6s,9s,10s,11r)-2-butan-2-ylidene-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-hydroxypyridine-2-carboxamide
InChIKey WHIKSLGSXKIHCA-IGCCMALHSA-N
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