S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ⁵,5λ⁵- diphosphaheptadecan-17-yl} (4R)-4-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanethioate (non-preferred name)

More details:

• Systematic name

  S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~- diphosphaheptadecan-17-yl} (4R)-4-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanethioate (non-preferred name)

• SMILES

  CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2C(N)=NC=NC1=2)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

• Std. InChi

  InChI=1S/C45H74N7O20P3S/c1-24(27-7-8-28-26-18-31(54)45(60)19-25(53)10-14-44(45,5)29(26)11-13-43(27,28)4)6-9-33(56)76-17-16-47-32(55)12-15-48-40(59)37(58)42(2,3)21-69-75(66,67)72-74(64,65)68-20-30-36(71-73(61,62)63)35(57)41(70-30)52-23-51-34-38(46)49-22-50-39(34)52/h22-31,35-37,41,53-54,57-58,60H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/t24-,25+,26+,27-,28+,29+,30-,31-,35-,36-,37+,41-,43-,44-,45+/m1/s1

• Std. InChIKey

  WRWBXZATSFAUGF-UJKOPXFNSA-N

• Cite this record

  CSID:113369031, http://www.chemspider.com/Chemical-Structure.113369031.html (accessed 06:00, Apr 27, 2024)