5'-O-[Hydroxy({Hydroxy[(2R,3S)-2,3,4-Trihydroxy-3-Methylbutoxy]Phosphoryl}Oxy)Phosphoryl]Cytidine

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Properties Simple | Detailed

Formula C14H25N3O14P2+
IUPAC Name [[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s)-2,3,4-trihydroxy-3-methyl-butyl] hydrogen phosphate
Molecular Mass 521.308 g·mol−1
Heat of Formation -3120.8 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 533.44 Å 3
Surface Area 438.18 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(cytidine 5'-diphospho)-2-c-methyl-d-erythritol
  • 4-cdp-2-c-methyl-d-erythritol
  • 4-diphosphocytidyl-2-c-methyl-d-erythritol
  • [(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(2r,3s)-2,3,4-trihydroxy-3-methyl-butoxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [hydroxy-[(2r,3s)-2,3,4-trihydroxy-3-methylbutoxy]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)-2,3,4-trihydroxy-3-methyl-butoxy]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)-2,3,4-trihydroxy-3-methyl-butoxy]phosphoryl] hydrogen phosphate
  • cdm
  • cytidine 5'-{3-[(2r,3s)-2,3,4-trihydroxy-3-methylbutyl] dihydrogen diphosphate}
InChIKey YFAUKWZNPVBCFF-XHIBXCGHSA-N
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