2'-Deoxy-N-Methoxycytidine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H16N3O8P+
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[4-(methoxyamino)-2-oxo-pyrimidin-3-ium-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 337.223 g·mol−1
Heat of Formation -1509.6 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 345.26 Å 3
Surface Area 309.48 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-3-hydroxy-5-[2-keto-4-(methoxyamino)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-[4-(methoxyamino)-2-oxo-1-pyrimidinyl]-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-[4-(methoxyamino)-2-oxo-pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-[4-(methoxyamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • n(4) mo-dcmp
  • n(4)-methoxydeoxycytidine 5'-phosphate
CAS Number(s)
  • 91886-20-3
InChIKey GCOHQLVAXYZLMM-LKEWCRSYSA-N
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