[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3S,4S)-2,3,4,5-Tetrahydroxypentyl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C14H25N3O15P2
IUPAC Name [[(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-λ1-azanyl-2-oxo-pyrimidin-3-ium-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2r,3s,4s)-2,3,4,5-tetraoxidopentyl] phosphate
Molecular Mass 537.307 g·mol−1
Heat of Formation -3282.0 ± 16.7 kJ·mol−1
Dipole Moment 9.26 ± 1.08 D
Volume 539.16 Å 3
Surface Area 458.04 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(2r,3s,4s)-2,3,4,5-tetrahydroxypentoxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [hydroxy-[(2r,3s,4s)-2,3,4,5-tetrahydroxypentoxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[(2r,3s,4s)-2,3,4,5-tetrahydroxypentoxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(2r,3s,4s)-2,3,4,5-tetrahydroxypentoxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(2r,3s,4s)-2,3,4,5-tetrahydroxypentoxy]phosphoryl] hydrogen phosphate
  • cdp ribitol
  • cdpribitol
  • cytidine 5'-(trihydrogen diphosphate), p'-5-ester with d-ribitol
  • cytidine 5'-{3-[(2r,3r,4s)-2,3,4,5-tetrahydroxypentyl] dihydrogen diphosphate}
  • cytidine diphosphate ribitol
CAS Number(s)
  • 3506-17-0
  • 98920-10-6
InChIKey DPJKHFICSGCNIR-HRENORGGSA-N
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