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

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Properties Simple | Detailed

Formula C15H23N3O14P2
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,6r)-3-hydroxy-6-methyl-5-oxo-tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 531.302 g·mol−1
Heat of Formation -3040.0 ± 16.7 kJ·mol−1
Dipole Moment 7.14 ± 1.08 D
Volume 521.79 Å 3
Surface Area 435.9 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -1.11 ± 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,6r)-3-hydroxy-5-keto-6-methyl-tetrahydropyran-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,6r)-3-hydroxy-6-methyl-5-oxo-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,6r)-3-hydroxy-6-methyl-5-oxo-oxan-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,6r)-3-hydroxy-6-methyl-5-oxo-tetrahydropyran-2-yl]oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(2r,3r,6r)-3-hydroxy-6-methyl-5-oxooxan-2-yl]oxyphosphoryl] hydrogen phosphate
  • cytidine 5'-(trihydrogen diphosphate), mono(3,6-dideoxy-alpha-d-erythro-hexopyranos-4-ulosyl) ester
  • cytidine diphosphate-4-keto-3,6-dideoxyglucose
CAS Number(s)
  • 21870-27-9
InChIKey DATWFRMXXZBEPM-SNAICPSHSA-N
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