2'-Deoxycytidine 3',5'-Bis(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C9H15N3O10P2
IUPAC Name [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 387.177 g·mol−1
Heat of Formation -2363.4 ± 16.7 kJ·mol−1
Dipole Moment 8.33 ± 1.08 D
Volume 371.33 Å 3
Surface Area 316.81 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxycytidine 3',5'-diphosphate
  • 2'-pdcp
  • 3'-cytidylic acid, 2'-deoxy-, 5'-(dihydrogen phosphate)
  • [(2r,3s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
CAS Number(s)
  • 4682-43-3
InChIKey PIILJQRMNSOCFD-SHYZEUOFSA-N
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