{(2R,3S,5R)-5-(6-Amino-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 C20H27N7O13P2
IUPAC Name [(2r,3s,5r)-5-(6-λ1-azanylpurin-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 635.415 g·mol−1
Heat of Formation -2655.8 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 655.79 Å 3
Surface Area 549.7 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, thymidylyl-(5'-3')-2'-deoxy-, homopolymer
  • [(2r,3s,5r)-5-(6-amino-9-purinyl)-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-(6-aminopurin-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-(6-aminopurin-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-(6-aminopurin-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
  • [(2r,3s,5r)-5-(6-aminopurin-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
  • poly da-dt
  • poly(deoxyadenylate-thymidylate)
  • polydeoxyadenine nucleotides-polythymine nucleotides
CAS Number(s)
  • 26182-58-1
  • 26966-61-0
  • 39288-01-2
  • 39466-04-1
  • 90385-82-3
  • 9054-18-6
InChIKey YRITVODHCMDVSY-BBZRCZKMSA-N
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