[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Methyl (2R,4R,6R)-4-Hydroxy-6-Methyl-5-Oxotetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C16H24N2O14P2
IUPAC Name [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] [(2r,4r,6r)-4-hydroxy-6-methyl-5-oxo-tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 530.314 g·mol−1
Heat of Formation -3142.4 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 535.98 Å 3
Surface Area 429.14 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(2r,4r,6r)-4-hydroxy-5-keto-6-methyl-tetrahydropyran-2-yl]oxy-phosphoryl] hydrogen phosphate
  • [hydroxy-[(2r,4r,6r)-4-hydroxy-6-methyl-5-oxo-oxan-2-yl]oxy-phosphoryl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  • [hydroxy-[(2r,4r,6r)-4-hydroxy-6-methyl-5-oxo-tetrahydropyran-2-yl]oxy-phosphoryl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [hydroxy-[(2r,4r,6r)-4-hydroxy-6-methyl-5-oxooxan-2-yl]oxyphosphoryl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  • [hydroxy-[[(2r,4r,6r)-4-hydroxy-6-methyl-5-oxo-2-tetrahydropyranyl]oxy]phosphoryl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • dtdp-4-oxo-2,6-dideoxy-alpha-d-glucose
InChIKey AONILRCSLAIOQE-LREJFELKSA-N
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