(2R,3R,4S,6S)-3,4-Dihydroxy-6-Methyl-5-Oxotetrahydro-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 C16H24N2O15P2
IUPAC Name [(2r,3r,4s,6s)-3,4-dihydroxy-6-methyl-5-oxo-tetrahydropyran-2-yl] [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate
Molecular Mass 546.314 g·mol−1
Heat of Formation -3265.6 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 552.47 Å 3
Surface Area 453.78 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • [[(2r,3r,4s,6s)-3,4-dihydroxy-5-keto-6-methyl-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl] [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [[(2r,3r,4s,6s)-3,4-dihydroxy-6-methyl-5-oxo-2-tetrahydropyranyl]oxy-hydroxyphosphoryl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [[(2r,3r,4s,6s)-3,4-dihydroxy-6-methyl-5-oxo-oxan-2-yl]oxy-hydroxy-phosphoryl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  • [[(2r,3r,4s,6s)-3,4-dihydroxy-6-methyl-5-oxo-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • dtdp-4-keto-l-rhamnose
  • dtdp-4-oxo-beta-l-rhamnose
  • tdo
InChIKey PSXWNITXWWECNY-LPVGZGSHSA-N
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