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

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Properties Simple | Detailed

Formula C14H23N3O15P2
IUPAC Name [[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 535.291 g·mol−1
Heat of Formation -3217.7 ± 16.7 kJ·mol−1
Dipole Moment 9.26 ± 1.08 D
Volume 530.21 Å 3
Surface Area 441.8 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.21 ± 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,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [hydroxy-[[(2r,3r,4s,5r)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(2r,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-phosphoryl] hydrogen phosphate
  • cxy
  • cytidine-5'-diphospho-beta-d-xylose
InChIKey NWSKPSPTJOAICE-OCIMBMBZSA-N
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