(2R,3S,4R,5S,6S)-4,5-Dihydroxy-3-Methoxy-2-Methyl-29-Oxa-1,7,17-Triazaoctacyclo[12.12.2.1~2,6~.0~7,28~.0~8,13~.0~15,19~.0~20,27~.0~21,26~]Nonacosa-8,10,12,14,19,21,23,25,27-Nonaen-16-One

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Formula C27H23N3O5
IUPAC Name (2r,3s,4r,5s,6s)-4,5-dihydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1 2,6 .0 7,28 .0 8,13 .0 15,19 .0 20,27 .0 21,26 ]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
Molecular Mass 469.489 g·mol−1
Heat of Formation -447.6 ± 16.7 kJ·mol−1
Dipole Moment 7.03 ± 1.08 D
Volume 511.89 Å 3
Surface Area 403.64 Å 2
HOMO Energy -7.91 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • 4'-demethylamino-4',5'-dihydroxystaurosporine
  • 9,13-epoxy-1h,9h-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-11,12-dihydroxy-10-methoxy-9-methyl-, (9s-(9alpha,10beta,11alpha,12alpha,13alpha))-
  • mlr-52
CAS Number(s)
  • 155416-34-5
InChIKey CCOPBVQTBWBCIK-IKERNBKFSA-N
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