5'-O-[({[(2R,3S)-2,4-Dihydroxy-3-Methyl-3-(Phosphonooxy)Butoxy](Hydroxy)Phosphoryl}Oxy)(Hydroxy)Phosphoryl]Cytidine

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Properties Simple | Detailed

Formula C14H26N3O17P3
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)-2,4-dihydroxy-3-methyl-3-phosphonooxy-butyl] hydrogen phosphate
Molecular Mass 601.287 g·mol−1
Heat of Formation -3970.9 ± 16.7 kJ·mol−1
Dipole Moment 9.65 ± 1.08 D
Volume 592.84 Å 3
Surface Area 478.16 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-phospho-4-(cytidine 5'-diphospho)-2-c-methyl-d-erythritol
  • 4-diphosphocytidyl-2-c-methyl-d-erythritol 2-phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s)-2,4-dihydroxy-3-methyl-3-phosphonooxy-butoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3s)-2,4-dihydroxy-3-methyl-3-phosphonooxybutoxy]-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3s)-2,4-dihydroxy-3-methyl-3-phosphonooxy-butoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s)-2,4-dihydroxy-3-methyl-3-phosphonooxy-butoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2r,3s)-2,4-dihydroxy-3-methyl-3-phosphonooxybutoxy]-hydroxyphosphoryl] hydrogen phosphate
  • sud
InChIKey HTJXTKBIUVFUAR-XHIBXCGHSA-N
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