[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3R,5R,6R)-3,5-Dihydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C15H25N3O14P2
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,5r,6r)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 533.318 g·mol−1
Heat of Formation -3119.5 ± 16.7 kJ·mol−1
Dipole Moment 6.70 ± 1.08 D
Volume 537.26 Å 3
Surface Area 390.73 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.98 ± 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 [[(2r,3r,5r,6r)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3r,5r,6r)-3,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r,5r,6r)-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3r,5r,6r)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • cdp-abequose
InChIKey JHEDABDMLBOYRG-YGBYUOMUSA-N
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