5-Methylcytidine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H16N3O8P
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 337.223 g·mol−1
Heat of Formation -1696.4 ± 16.7 kJ·mol−1
Dipole Moment 8.99 ± 1.08 D
Volume 341.25 Å 3
Surface Area 299.31 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-cytidylic acid, 5-methyl-
  • 5-methylcytidine 5'-monophosphate
  • 5-methylcytidylic acid
  • [(2r,3s,4r,5r)-5-(4-amino-2-keto-5-methyl-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-methyl-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 117309-80-5
  • 3590-36-1
InChIKey NJQONZSFUKNYOY-JXOAFFINSA-N
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