6-Amino-1-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-1,5-Dihydro-4H-Pyrrolo[3,2-C]Pyridin-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C12H21N3O4
IUPAC Name 6-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,3,5,7-tetrahydropyrrolo[3,2-c]pyridine-2,3,3a,6,7,7a-hexaid-4-one
Molecular Mass 271.313 g·mol−1
Heat of Formation -554.1 ± 16.7 kJ·mol−1
Dipole Moment 7.32 ± 1.08 D
Volume 299.72 Å 3
Surface Area 271.56 Å 2
HOMO Energy -7.88 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-pyrrolo(3,2-c)pyridin-4-one, 6-amino-1-(2-deoxy-beta-d-erythro-pentofuranosyl)-1,5-dihydro-
  • 6-amino-1-(2-deoxypentofuranosyl)-1h-pyrrolo(3,2-c)pyridin-4(5h)-one
  • 6-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5h-pyrrolo[3,2-c]pyridin-4-one
  • 6-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5h-pyrrolo[3,2-c]pyridin-4-one
  • 6-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5h-pyrrolo[3,2-c]pyridin-4-one
  • 6-amino-1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5h-pyrrolo[3,2-c]pyridin-4-one
  • adppp
CAS Number(s)
  • 110914-68-6
InChIKey VDSVBPDTEBRPDE-NGZCFLSTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N