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

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Properties Simple | Detailed

Formula C11H19N5O8P+
IUPAC Name [(2r,3s,5r)-5-[[2-amino-5-[formyl(methyl)amino]-6-oxo-pyrimidin-3-ium-1-id-4-yl]amino]-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 380.271 g·mol−1
Heat of Formation -1609.2 ± 16.7 kJ·mol−1
Dipole Moment 9.45 ± 1.08 D
Volume 405.35 Å 3
Surface Area 346.02 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-n(5)-methyl-n(5)-formyl-2,5,6-triamino-4-oxopyrimidine 3'-monophosphate
  • [(2r,3s,5r)-5-[[2-amino-5-(formyl-methyl-amino)-6-keto-3h-pyrimidin-4-yl]amino]-2-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3s,5r)-5-[[2-amino-5-(formyl-methyl-amino)-6-oxo-3h-pyrimidin-4-yl]amino]-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3s,5r)-5-[[2-amino-5-(formyl-methylamino)-6-oxo-3h-pyrimidin-4-yl]amino]-2-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3s,5r)-5-[[2-amino-5-(formyl-methylamino)-6-oxo-3h-pyrimidin-4-yl]amino]-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
  • [(2r,3s,5r)-5-[[2-amino-5-(methanoyl-methyl-amino)-6-oxo-3h-pyrimidin-4-yl]amino]-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
  • formamide, n-(2-amino-6-((2-deoxy-3-o-phosphono-beta-d-erythro-pentofuranosyl)amino)-1,4-dihydro-4-oxo-5-pyrimidinyl)-n-methyl-
  • rom-dgmp
CAS Number(s)
  • 123497-15-4
InChIKey GCBTZSPITZMWJH-RRKCRQDMSA-N
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