Apicidin

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Formula C34H49N5O6
IUPAC Name (3s,6s,9s,12r)-6-[(1-methoxy-2h-indol-1-ium-2-ylium-3-yl)methyl]-3-[(1s)-1-methylpropyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
Molecular Mass 623.783 g·mol−1
Heat of Formation -990.6 ± 16.7 kJ·mol−1
Dipole Moment 11.13 ± 1.08 D
Volume 780.37 Å 3
Surface Area 548.77 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s,9s,12r)-3-[(2s)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
  • (3s,6s,9s,12r)-6-[(1-methoxy-3-indolyl)methyl]-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
  • (3s,6s,9s,12r)-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
  • (3s,6s,9s,12r)-9-(6-ketooctyl)-6-[(1-methoxyindol-3-yl)methyl]-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-diquinone
  • osi-2040
InChIKey JWOGUUIOCYMBPV-GMFLJSBRSA-N
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