1-Methylisoguanosine

Molecule SVG Image

Properties Simple | Detailed

Formula C11H15N5O5
IUPAC Name 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-purin-2-one
Molecular Mass 297.267 g·mol−1
Heat of Formation -674.2 ± 16.7 kJ·mol−1
Dipole Moment 7.49 ± 1.08 D
Volume 318.38 Å 3
Surface Area 281.96 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1-methyl-2-purinone
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-purin-2-one
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-purin-2-one
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1-methyl-purin-2-one
  • adenosine, 1,2-dihydro-1-methyl-2-oxo-
  • pdsp1_001014
  • pdsp2_000998
CAS Number(s)
  • 70639-65-5
InChIKey NGSRMSVXLUMDAX-KQYNXXCUSA-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