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

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Properties Simple | Detailed

Formula C16H26N2O15P2++
IUPAC Name [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] [(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 548.330 g·mol−1
Heat of Formation -3364.8 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 547.42 Å 3
Surface Area 393.55 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-thymidine-beta-l-rhamnose
  • [[(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-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,3r,4r,5r,6s)-3,4,5-trihydroxy-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,3r,4r,5r,6s)-3,4,5-trihydroxy-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,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl] hydrogen phosphate
  • thymidine 5'-(trihydrogen diphosphate), p'-(6-deoxy-beta-l-mannopyranosyl) ester
  • thymidine diphosphate rhamnose
  • thymidine diphosphate-l-rhamnose
  • trh
CAS Number(s)
  • 2147-59-3
  • 62012-79-7
InChIKey ZOSQFDVXNQFKBY-CGAXJHMRSA-N
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