2'-Deoxy-5-Methylcytidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H18N3O13P3
IUPAC Name [[(2r,3s,5r)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 481.184 g·mol−1
Heat of Formation -3248.0 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 463.85 Å 3
Surface Area 364.23 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 5-methyl deoxycytidine-triphosphate
  • 5-methyl-2'-deoxycytidine 5'-triphosphate
  • [(2r,3s,5r)-5-(4-amino-2-keto-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-methyl-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
CAS Number(s)
  • 22003-06-1
  • 22003-12-9
InChIKey NGYHUCPPLJOZIX-XLPZGREQSA-N
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