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

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Properties Simple | Detailed

Formula C17H28N2O14P2
IUPAC Name [hydroxy-[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-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
Molecular Mass 546.357 g·mol−1
Heat of Formation -3177.8 ± 16.7 kJ·mol−1
Dipole Moment 7.00 ± 1.08 D
Volume 564.38 Å 3
Surface Area 476.18 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • [[(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl] hydrogen phosphate
  • [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methoxy]phosphoryl] [(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-2-tetrahydropyranyl] hydrogen phosphate
  • [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl] hydrogen phosphate
  • [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] [(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl] hydrogen phosphate
  • [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl] hydrogen phosphate
  • deoxythymidine diphosphate-oleandrose
  • dtdp-oleandrose
InChIKey KXTSABXLDGUXAE-BNESJGNISA-N
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