1-Methylinosine

Molecule SVG Image

Properties Simple | Detailed

Formula C11H14N4O5
IUPAC Name 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-2,8-dihydropurine-2,3,4,5,7,8-hexaid-6-one
Molecular Mass 282.253 g·mol−1
Heat of Formation -652.8 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 305.41 Å 3
Surface Area 274.08 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1-methyl-6-purinone
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-purin-6-one
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-purin-6-one
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1-methyl-purin-6-one
  • inosine, 1-methyl-
CAS Number(s)
  • 2140-73-0
  • 55927-68-9
InChIKey WJNGQIYEQLPJMN-IOSLPCCCSA-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