(3S,11As)-3,8-Dihydroxy-7-Methoxy-1,2,3,11A-Tetrahydro-5H-Pyrrolo[2,1-C][1,4]Benzodiazepin-5-One

Molecule SVG Image

Properties Simple | Detailed

Formula C13H14N2O4
IUPAC Name (6as,9s)-3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Molecular Mass 262.261 g·mol−1
Heat of Formation -521.5 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 289.83 Å 3
Surface Area 264.04 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (6as,9s)-3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
  • 5h-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-, (3s-trans)-
  • antibiotic mc-916-a
  • mc-916-a
CAS Number(s)
  • 59593-16-7
InChIKey FXMOIYLVKOALHC-MADCSZMMSA-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