Cytidine 3',5'-Bis(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C9H17N3O17P4
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
Molecular Mass 563.136 g·mol−1
Heat of Formation -4221.6 ± 16.7 kJ·mol−1
Dipole Moment 11.43 ± 1.08 D
Volume 514.26 Å 3
Surface Area 431.54 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-3-tetrahydrofuranyl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
  • cytidine 3'-(trihydrogen diphosphate), 5'-(trihydrogen diphosphate)
  • cytidine 3'-diphosphate 5'-diphosphate
  • ppcpp
CAS Number(s)
  • 73205-34-2
InChIKey KCYLRYJAQINMGQ-XVFCMESISA-N
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