N-{2-Amino-5-[Formyl(Methyl)Amino]-6-Oxo-3,6-Dihydro-4-Pyrimidinyl}-2-Deoxy-β-D-Erythro-Pentofuranosylamine

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Properties Simple | Detailed

Formula C11H18N5O5+
IUPAC Name n-[2-amino-6-[[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]amino]-4-oxo-pyrimidin-1-ium-3-id-5-yl]-n-methyl-formamide
Molecular Mass 300.291 g·mol−1
Heat of Formation -758.6 ± 16.7 kJ·mol−1
Dipole Moment 10.66 ± 1.08 D
Volume 336.5 Å 3
Surface Area 287.21 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 7-methyl-2'-deoxyguanosine imidazole (ring open)
  • 7-mguo iro
  • formamide, n-(2-amino-6-((2-deoxy-beta-d-erythro-pentofuranosyl)amino)-1,4-dihydro-4-oxo-5-pyrimidinyl)-n-methyl-
  • n-(2-amino-6-((2-deoxy-beta-d-erythro-pentofuranosyl)amino)-1,4-dihydro-4-oxo-5-pyrimidinyl)-n-methylformamide
  • n-[2-amino-4-[[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]amino]-6-oxo-3h-pyrimidin-5-yl]-n-methylformamide
  • n-[2-amino-4-[[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-6-oxo-3h-pyrimidin-5-yl]-n-methyl-methanamide
  • n-[2-amino-4-[[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-6-oxo-3h-pyrimidin-5-yl]-n-methylformamide
  • n-[2-amino-4-[[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]amino]-6-oxo-3h-pyrimidin-5-yl]-n-methyl-formamide
  • n-[2-amino-4-[[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]amino]-6-keto-3h-pyrimidin-5-yl]-n-methyl-formamide
CAS Number(s)
  • 72398-32-4
InChIKey RLBJYWQLKDLJEV-RRKCRQDMSA-N
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