2'-Deoxy-5-Methylcytidine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H16N3O7P
IUPAC Name [(2r,3s,5r)-5-(4-amino-5-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 321.224 g·mol−1
Heat of Formation -1519.4 ± 16.7 kJ·mol−1
Dipole Moment 8.47 ± 1.08 D
Volume 331.28 Å 3
Surface Area 291.03 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-5-methyl-5'-cytidylic acid
  • 2'-deoxy-5-methylcytidine 5'-monophosphate
  • 5-methyl-deoxycytidylic acid
  • 5-methyldeoxycytidine 5'-phosphate
  • [(2r,3s,5r)-5-(4-amino-2-keto-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-methyl-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • deoxy-5-methylcytidylate
  • deoxy-5-methylcytidylic acid
CAS Number(s)
  • 2498-41-1
InChIKey RGDVNLHBCKWZDA-XLPZGREQSA-N
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