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

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Properties Simple | Detailed

Formula C10H18N3O13P3
IUPAC Name [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-[4-(methylamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 481.184 g·mol−1
Heat of Formation -3213.9 ± 16.7 kJ·mol−1
Dipole Moment 8.11 ± 1.08 D
Volume 461.9 Å 3
Surface Area 365.54 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-3-hydroxy-5-(2-keto-4-methylamino-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(4-methylamino-2-oxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(4-methylamino-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(4-methylamino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(4-methylamino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-n-methyl-
  • mdctp
  • n(4)-methyl-2'-deoxycytidine 5'-triphosphate
CAS Number(s)
  • 149674-24-8
InChIKey IKQDPOQDKMLSOK-LKEWCRSYSA-N
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