7,7'-(1,4-Butanediyl)Bis{2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydro-2-Furanyl]-6-Oxo-6,7-Dihydro-3H-Purin-9-Ium}

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Properties Simple | Detailed

Formula C24H34N10O10++
IUPAC Name (2r,3r,4s,5r)-2-[7-[4-[9-[(2r,3r,4s,5r)-3,4-dioxido-5-(oxidomethyl)tetrahydrofuran-2-yl]-2-λ1-azanyl-6-oxo-purine-1,3-diium-5-id-7-yl]butyl]-2-λ1-azanyl-6-oxo-8h-purine-1,3-diium-5,8-diid-9-yl]-5-(oxidomethyl)tetrahydrofuran-3,4-diolate
Molecular Mass 622.588 g·mol−1
Heat of Formation -1177.1 ± 16.7 kJ·mol−1
Dipole Moment 14.14 ± 1.08 D
Volume 658.74 Å 3
Surface Area 430.89 Å 2
HOMO Energy -5.69 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-di(7-guanosyl)butane
  • 1h-purinium, 7,7'-(1,4-butanediyl)bis(2-amino-6,9-dihydro-6-oxo-9-beta-d-ribofuranosyl-
  • 2-amino-7-[4-[2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-oxo-3h-purin-9-ium-7-yl]butyl]-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purin-9-ium-6-one
  • 2-amino-7-[4-[2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3h-purin-9-ium-7-yl]butyl]-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purin-9-ium-6-one
  • 2-amino-7-[4-[2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3h-purin-9-ium-7-yl]butyl]-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-9-ium-6-one
  • 2-amino-7-[4-[2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-keto-3h-purin-9-ium-7-yl]butyl]-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-purin-9-ium-6-one
CAS Number(s)
  • 74746-58-0
InChIKey XVFDHWXINSBYAB-LAMCKDNKSA-P
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