2-Amino-9-[(2R,3R,4S,5R)-5-({[{[{[({[(2R,3S,4R,5R)-5-[6-(¹⁵N)amino(¹³C₅,¹⁵N₄)-9H-purin-9-yl]-3,4-dihydroxy(¹³C₄)tetrahydro-2-furanyl](¹³C)methyl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)ph osphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-7-methyl-6-oxo-6,7-dihydro-3H-purin-9-ium

More details:

• Systematic name

  2-Amino-9-[(2R,3R,4S,5R)-5-({[{[{[({[(2R,3S,4R,5R)-5-[6-(~15~N)amino(~13~C_5_,~15~N_4_)-9H-purin-9-yl]-3,4-dihydroxy(~13~C_4_)tetrahydro-2-furanyl](~13~C)methyl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)ph osphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-7-methyl-6-oxo-6,7-dihydro-3H-purin-9-ium

• SMILES

  Cn1c[n+](c2c1c(=O)nc([nH]2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O

• Std. InChi

  InChI=1S/C21H29N10O17P3/c1-29-6-31(17-10(29)18(36)28-21(23)27-17)20-14(35)12(33)8(46-20)3-44-50(39,40)48-51(41,42)47-49(37,38)43-2-7-11(32)13(34)19(45-7)30-5-26-9-15(22)24-4-25-16(9)30/h4-8,11-14,19-20,32-35H,2-3H2,1H3,(H7-,22,23,24,25,27,28,36,37,38,39,40,41,42)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1/i2+1,4+1,5+1,7+1,9+1,11+1,13+1,15+1,16+1,19+1,22+1,24+1,25+1,26+1,30+1

• Std. InChIKey

  QQOHNVHGNZYSBP-BORZGKPMSA-O

• Cite this record

  CSID:9226226, http://www.chemspider.com/Chemical-Structure.9226226.html (accessed 23:03, Apr 19, 2024)