1-[(3ξ)-5-O-{Hydroxy[(hydroxy{(2R)-2-[(11Z)-11-octadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-erythro-pentofuranosyl]-4-imino-1,4-dihydro-2-pyrimidinol

More details:

• Systematic name

  1-[(3xi)-5-O-{Hydroxy[(hydroxy{(2R)-2-[(11Z)-11-octadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)oxy]phosphoryl}-beta-D-erythro-pentofuranosyl]-4-imino-1,4-dihydro-2-pyrimidinol

• SMILES

  [H]\\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\\C([H])=C(\\[H])CCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1C([C@H]([C@@H](O1)n2ccc(=N)nc2O)O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC

• Std. InChi

  InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h14,16-17,19,35-36,40-41,45-47,54-55H,3-13,15,18,20-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b16-14-,19-17-/t40-,41-,45?,46-,47-/m1/s1

• Std. InChIKey

  OAHLYURAXDZWKU-GZIXJXNQSA-N

• Cite this record

  CSID:59700462, http://www.chemspider.com/Chemical-Structure.59700462.html (accessed 13:33, Apr 19, 2024)