8-[(6-Aminohexyl)Amino]Inosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C16H28N6O8P
IUPAC Name [(2r,3s,4r,5r)-5-[8-(6-aminohexylamino)-6-oxo-3h-purine-1,7-diium-4-id-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 463.403 g·mol−1
Heat of Formation -1494.4 ± 16.7 kJ·mol−1
Dipole Moment 10.08 ± 1.08 D
Volume 515.83 Å 3
Surface Area 452.7 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-inosinic acid, 8-((6-aminohexyl)amino)-
  • 8-((6-aminohexyl)amino)inosine 5'-monophosphate
  • [(2r,3s,4r,5r)-5-[8-(6-aminohexylamino)-6-keto-3h-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[8-(6-aminohexylamino)-6-oxo-3h-purin-9-yl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[8-(6-aminohexylamino)-6-oxo-3h-purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[8-(6-aminohexylamino)-6-oxo-3h-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[8-(6-aminohexylamino)-6-oxo-3h-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 75204-34-1
InChIKey ABFPHWAZOCNUSM-SDBHATRESA-N
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