11,33-Bis(Cyclopropylmethyl)-22-Methyl-19,25-Dioxa-11,22,33-Triazaundecacyclo[24.9.1.1~8,14~.0~1,24~.0~2,32~.0~4,23~.0~5,21~.0~7,12~.0~8,20~.0~18,37~.0~30,36~]Heptatriaconta-4(23),5(21),14(37),15,17,26(36),27,29-Octaene-2,7,17,27-Tetrol

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Properties Simple | Detailed

Formula C41H45N3O6
IUPAC Name 11,33-bis(cyclopropylmethyl)-22-methyl-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.1 8,14 .0 1,24 .0 2,32 .0 4,23 .0 5,21 .0 7,12 .0 8,20 .0 18,37 .0 30,36 ]heptatriaconta-4(23),5(21),14(37),15,17,26(36),27,29-octaene-2,7,17,27-tetrol
Molecular Mass 675.812 g·mol−1
Heat of Formation -549.2 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 781.87 Å 3
Surface Area 592.96 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 3.23 ± eV
Point Group Symmetry C1
Synonyms
  • 4,8:11,15-dimethano-20h-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-, (8r-(4bs*,8alpha,8abeta,10aalpha,11beta,14as*,19aalpha,20bbeta))-
  • binaltorphimine
  • bni ligand
CAS Number(s)
  • 105618-27-7
InChIKey DKIVQMBUHVYDFC-IWRYZOJTSA-N
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