N-[(2Z,5R,6S,9S,10R,11R)-2-(2-Butanylidene)-10-Hydroxy-5,11-Dimethyl-3,7,12-Trioxo-9-(3-Pyridinylmethyl)-1,4-Dioxa-8-Azacyclododecan-6-Yl]-3-Hydroxy-2-Pyridinecarboxamide

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Properties Simple | Detailed

Formula C27H32N4O8
IUPAC Name 3-hydroxy-n-[(2z,5r,6s,9s,10r,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
Molecular Mass 540.565 g·mol−1
Heat of Formation -1260.9 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 633.76 Å 3
Surface Area 483.67 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • 2-pyridinecarboxamide, 3-hydroxy-n-(10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridinylmethyl)-1,4-dioxa-8-azacyclododec-6-yl)-, (5r-(2z,5r*,6s*,9s*,10s*,11r*))- (9ci)
  • 3-hydroxy-n-[(2z,5r,6s,9s,10r,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,10r,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,10r,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
  • erizomycin
  • n-[(2z,5r,6s,9s,10r,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,10r,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-QJJXMMRLSA-N
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