[(2R,3S,5S)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C20H28N4O15P2
IUPAC Name [(2r,3s,5s)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 626.402 g·mol−1
Heat of Formation -3266.3 ± 16.7 kJ·mol−1
Dipole Moment 8.65 ± 1.08 D
Volume 651.65 Å 3
Surface Area 501.12 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5s)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-tetrahydrofuranyl] [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-phosphonooxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,5s)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5s)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • d(ptpt)
  • thymidylyl-(3'-5')-3'-thymidylic acid
  • tptp
CAS Number(s)
  • 2476-56-4
InChIKey LPGUBBCKPSUVTG-UGYDUONOSA-N
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