4-Amino-7-(β-D-Ribofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16N5O5
IUPAC Name 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carboxamide
Molecular Mass 310.286 g·mol−1
Heat of Formation -727.4 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 327.65 Å 3
Surface Area 283.91 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 18417-89-5 (free base)
  • 21090-35-7 (hydrochloride)
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-pyrrolo[4,5-e]pyrimidinecarboxamide
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[4,5-e]pyrimidine-5-carboxamide
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[4,5-e]pyrimidine-5-carboxamide
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrrolo[4,5-e]pyrimidine-5-carboxamide
  • 4-amino-7-beta-d-arabinofuranosyl-7h-pyrrolo(2,3-d)pyrimidine-5-carboxamide
  • 4-amino-7-beta-d-ribofuranosyl-7h-pyrrolo(2,3-d)pyrimidine-5-carboxamide
  • 7h-pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-beta-d-arabinofuranosyl-
  • 7h-pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-beta-d-ribofuranosyl-
  • antibiotic b-14437
  • ara-sangivamycin
  • b-14437
  • sanzivamycin
CAS Number(s)
  • 1405-48-7
InChIKey OBZJZDHRXBKKTJ-JTFADIMSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N