4'-Thiouridine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C9H15N2O14P3S
IUPAC Name [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrothiophen-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 500.207 g·mol−1
Heat of Formation -3429.9 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 468.24 Å 3
Surface Area 381.45 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -2.12 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrothiophen-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrothiophenyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrothiophen-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-thiolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
InChIKey MZIWTHUYWSWPOI-XVFCMESISA-N
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