3-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Imidazo[2,1-F]Purine-5-Sulfonic Acid

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Properties Simple | Detailed

Formula C22H25N10O14PS
IUPAC Name 3-[(2r,3r,4s,5r)-5-[[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]imidazo[2,1-f]purine-5-sulfonic acid
Molecular Mass 716.531 g·mol−1
Heat of Formation -2126.4 ± 16.7 kJ·mol−1
Dipole Moment 12.82 ± 1.08 D
Volume 714.66 Å 3
Surface Area 474.09 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1,n(6)-ethenoadenosine-2-sulfonate guanosine 3'-phosphodiester
  • 3-[(2r,3r,4s,5r)-5-[[[(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]imidazo[2,1-f]purine-5-sulfonic acid
  • 3-[(2r,3r,4s,5r)-5-[[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxy-2-tetrahydrofuranyl]-5-imidazo[2,1-f]purinesulfonic acid
  • 3-[(2r,3r,4s,5r)-5-[[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]imidazo[2,1-f]purine-5-sulfonic acid
  • geads
  • guanosine, n,6-didehydro-n,1-(1,2-ethenediyl)-1,6-dihydro-2-sulfoadenylyl-(5'-3')-
CAS Number(s)
  • 73962-12-6
InChIKey PBKWHLCDNNAYHE-XPWFQUROSA-N
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