Bis({(2R,3S,4R,5R)-5-[6-(Dimethylamino)-9H-Purin-9-Yl]-3,4-Dihydroxytetrahydro-2-Furanyl}Methyl) Hydrogen Phosphate

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Formula C24H33N10O10P
IUPAC Name [(2r,3s,4r,5r)-5-[6-(dimethylamino)purin-9-ium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-[6-(dimethylamino)-8h-purin-8-ylium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 652.554 g·mol−1
Heat of Formation -1599.1 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 695.04 Å 3
Surface Area 475.24 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • adenosine, n,n-dimethyladenylyl-(3'-5')-n,n-dimethyl-
  • bis[[(2r,3s,4r,5r)-5-(6-dimethylamino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl] hydrogen phosphate
  • bis[[(2r,3s,4r,5r)-5-(6-dimethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl] hydrogen phosphate
  • bis[[(2r,3s,4r,5r)-5-(6-dimethylaminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] hydrogen phosphate
  • bis[[(2r,3s,4r,5r)-5-(6-dimethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] hydrogen phosphate
  • m(6)(2)apm(6)(2)a
  • n(6),n(6)-dimethyladenylyl(3'-5')n(6),n(6)-dimethyladenosine
CAS Number(s)
  • 2273-75-8
InChIKey OTEVSHVKJXUMGI-INLCHHDGSA-N
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