[(2R,3S,4R,5R)-5-(2-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate

More details:

• Systematic name

  [(2R,3S,4R,5R)-5-(2-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate

• SMILES

  c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)OC[C@@H]4[C@H](C[C@@H](O4)n5cc(c(=O)[nH]c5=O)Br)O)O

• Std. InChi

  InChI=1S/C19H24BrN7O14P2/c20-7-3-26(19(31)25-16(7)30)12-1-9(28)10(39-12)4-38-43(35,36)41-14-11(5-37-42(32,33)34)40-17(13(14)29)27-6-23-8-2-22-18(21)24-15(8)27/h2-3,6,9-14,17,28-29H,1,4-5H2,(H,35,36)(H2,21,22,24)(H,25,30,31)(H2,32,33,34)/t9-,10+,11+,12+,13+,14+,17+/m0/s1

• Std. InChIKey

  KWYPIKSUEWBRHY-MWZTYSBBSA-N

• Cite this record

  CSID:168236, http://www.chemspider.com/Chemical-Structure.168236.html (accessed 16:41, Apr 18, 2024)