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} (2R,3R,6R)-3-hydroxy-2-methyl-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanethioate (non-preferre d 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} (2R,3R,6R)-3-hydroxy-2-methyl-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanethioate (non-preferre d 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)[C@H](C)[C@H](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/C48H80N7O21P3S/c1-25(29-8-9-30-28-19-34(58)48(64)20-27(56)11-15-47(48,6)31(28)12-14-46(29,30)5)7-10-32(57)26(2)44(63)80-18-17-50-35(59)13-16-51-42(62)39(61)45(3,4)22-73-79(70,71)76-78(68,69)72-21-33-38(75-77(65,66)67)37(60)43(74-33)55-24-54-36-40(49)52-23-53-41(36)55/h23-34,37-39,43,56-58,60-61,64H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/t25-,26-,27+,28+,29-,30+,31+,32-,33-,34-,37-,38-,39+,43-,46-,47-,48+/m1/s1

• Std. InChIKey

  PJJHUKDTGITXML-MFOUGJSISA-N

• Cite this record

  CSID:113369034, http://www.chemspider.com/Chemical-Structure.113369034.html (accessed 05:32, Apr 25, 2024)