(15S,16S,18R)-16-Hydroxy-16-{[(2-Hydroxyethyl)Amino]Methyl}-15-Methyl-28-Oxa-4,14,19-Triazaoctacyclo[12.11.2.1~15,18~.0~2,6~.0~7,27~.0~8,13~.0~19,26~.0~20,25~]Octacosa-1,6,8,10,12,20,22,24,26-Nonaen-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C28H26N4O4
IUPAC Name (15s,16s,18r)-16-hydroxy-16-{[(2-hydroxyethyl)amino]methyl}-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1 15,18 .0 2,6 .0 7,27 .0 8,13 .0 19,26 .0 20,25 ]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
Molecular Mass 482.530 g·mol−1
Heat of Formation -297.4 ± 16.7 kJ·mol−1
Dipole Moment 8.83 ± 1.08 D
Volume 539.99 Å 3
Surface Area 436.59 Å 2
HOMO Energy -7.84 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 9,12-epoxy-1h-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocin-1-one, 2,3,9,10,11,12-hexahydro-10-hydroxy-10-(((2-hydroxyethyl)amino)methyl)-9-methyl-, (9s-(9alpha,10beta,12alpha))-
  • na 0362
  • na-0362
CAS Number(s)
  • 134886-07-0
InChIKey WRFSERJGDWOMEZ-ANFLZCCJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N