5'-O-[(S)-{[(R)-[(2S)-2,3-Dihydroxypropoxy](Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Cytidine

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Properties Simple | Detailed

Formula C12H21N3O13P2+
IUPAC Name [[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2s)-2,3-dihydroxypropyl] hydrogen phosphate
Molecular Mass 477.255 g·mol−1
Heat of Formation -2882.2 ± 16.7 kJ·mol−1
Dipole Moment 8.47 ± 1.08 D
Volume 475.33 Å 3
Surface Area 395.34 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2s)-2,3-dihydroxypropoxy]-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2s)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2s)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • [cytidine-5'-phosphate] glycerylphosphoric acid ester
  • c2g
  • cytidine 5'-diphosphoglycerol
InChIKey HHPOUCCVONEPRK-CNYIRLTGSA-N
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