[[(2R,3S,4S)-5-(4a-hydroxy-7,8-dimethyl-2,4-dioxo-5H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate

More details:

• Systematic name

  [[(2R,3S,4S)-5-(4a-hydroxy-7,8-dimethyl-2,4-dioxo-5H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate

• SMILES

  Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)n5cnc6c5ncnc6N)O)O)O)O)O

• Std. InChi

  InChI=1S/C27H35N9O16P2/c1-10-3-12-13(4-11(10)2)35(24-27(44,34-12)25(42)33-26(43)32-24)5-14(37)18(39)15(38)6-49-53(45,46)52-54(47,48)50-7-16-19(40)20(41)23(51-16)36-9-31-17-21(28)29-8-30-22(17)36/h3-4,8-9,14-16,18-20,23,34,37-41,44H,5-7H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,33,42,43)/t14-,15+,16+,18-,19+,20+,23?,27?/m0/s1

• Std. InChIKey

  WTOYVZYXGAOYIM-DMXKTOCKSA-N

• Cite this record

  CSID:112038, http://www.chemspider.com/Chemical-Structure.112038.html (accessed 14:01, Apr 29, 2024)