{(2R,3S,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3-[(Hydroxy{[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Methoxy}Phosphoryl)Oxy]Tetrahydro-2-Furanyl}Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C20H26N7O14P2
IUPAC Name [(2r,3s,5r)-5-(2-λ1-azanyl-6-oxo-purine-1,3-diium-9-yl)-3-[[(2r,3s,5r)-5-(5-methyl-2,6-dioxo-4h-pyrimidin-1-ium-4-ylium-3-yl)-3-oxido-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 650.406 g·mol−1
Heat of Formation -2801.1 ± 16.7 kJ·mol−1
Dipole Moment 12.41 ± 1.08 D
Volume 665.98 Å 3
Surface Area 552.5 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-guanylic acid, thymidylyl-(5'-3')-2'-deoxy-, homopolymer
  • [(2r,3s,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • poly d(g-t)
  • polydeoxy(guanine-thymine) nucleotide
CAS Number(s)
  • 55684-98-5
InChIKey KQVGIENMXBONMG-PRSXHHODSA-N
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