1-Methylinosine

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Properties Simple | Detailed

Formula C11H20N4O5
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 288.300 g·mol−1
Heat of Formation -651.8 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 303.69 Å 3
Surface Area 273.15 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.81 ± 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
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