(2S,3S,4R,5R)-3,4-Dihydroxy-5-{6-[(3-Iodobenzyl)Amino]-9H-Purin-9-Yl}-N-Methyltetrahydro-2-Furancarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C18H19IN6O4
IUPAC Name (2s,3s,4r,5r)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purine-1,3,7-triium-9-yl]-n-methyl-tetrahydrofuran-2-carboxamide
Molecular Mass 510.286 g·mol−1
Heat of Formation -268.0 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 472.05 Å 3
Surface Area 415.39 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r)-3,4-dihydroxy-5-[6-[(3-iodobenzyl)amino]purin-9-yl]-n-methyl-tetrahydrofuran-2-carboxamide
  • (2s,3s,4r,5r)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]-9-purinyl]-n-methyl-2-tetrahydrofurancarboxamide
  • (2s,3s,4r,5r)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-n-methyl-oxolane-2-carboxamide
  • (2s,3s,4r,5r)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-n-methyl-tetrahydrofuran-2-carboxamide
  • (2s,3s,4r,5r)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-n-methyloxolane-2-carboxamide
  • 1-deoxy-1-(6-(((3-iodophenyl)methyl)amino)-9h-purin-9-yl)-n-methyl-beta-d-ribofuranuronamide
  • 1-deoxy-1-[6-[((3-iodophenyl)methyl)amino]-9h-purin-9-yl]-n-methyl-beta-d-ribofuranuronamide
  • 3-ib-meca
  • beta-d-ribofuranuronamide, 1-deoxy-1-(6-(((3-iodophenyl)methyl)amo)-9h-purin-9-yl)-n-methyl-
  • cf 101
  • cf-101
  • ib-meca
  • ibmeca
  • n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine
  • n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide
  • n(6)-ibamu
  • n6-(3-iodobenzyl)adenosine-5'-n-methyluronamide
  • rpr-113090
CAS Number(s)
  • 152918-18-8
  • 215462-30-9
InChIKey HUJXGQILHAUCCV-MOROJQBDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements I H C O N