1-Methylinosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C11H21N4O8P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(1-methyl-6-oxo-2,8-dihydropurine-2,3,4,5,7,8-hexaid-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 368.280 g·mol−1
Heat of Formation -1534.3 ± 16.7 kJ·mol−1
Dipole Moment 9.44 ± 1.08 D
Volume 360.47 Å 3
Surface Area 298.98 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-inosinic acid, 1-methyl-, homopolymer
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(1-methyl-6-oxo-9-purinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(1-methyl-6-oxo-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(1-methyl-6-oxo-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(1-methyl-6-oxopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-keto-1-methyl-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • poly(1-methylinosinic acid)
CAS Number(s)
  • 29855-89-8
InChIKey CPKNFRPSNBOHIM-IOSLPCCCSA-N
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