4-Amino-1-[(2ξ)-5-O-{hydroxy[(hydroxy{(2R)-2-[(11-methyldodecanoyl)oxy]-3-[(20-methylhenicosanoyl)oxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-threo-pentofuranosyl]-2(1H)-pyrimidinone

More details:

• Systematic name

  4-Amino-1-[(2xi)-5-O-{hydroxy[(hydroxy{(2R)-2-[(11-methyldodecanoyl)oxy]-3-[(20-methylhenicosanoyl)oxy]propoxy}phosphoryl)oxy]phosphoryl}-beta-D-threo-pentofuranosyl]-2(1H)-pyrimidinone

• SMILES

  [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCC(C)C CC(C)CCCCCCCCCC(=O)O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C

• Std. InChi

  InChI=1S/C47H87N3O15P2/c1-37(2)28-24-20-16-13-11-9-7-5-6-8-10-12-14-18-22-26-30-42(51)60-34-39(63-43(52)31-27-23-19-15-17-21-25-29-38(3)4)35-61-66(56,57)65-67(58,59)62-36-40-44(53)45(54)46(64-40)50-33-32-41(48)49-47(50)55/h32-33,37-40,44-46,53-54H,5-31,34-36H2,1-4H3,(H,56,57)(H,58,59)(H2,48,49,55)/t39-,40-,44+,45?,46-/m1/s1

• Std. InChIKey

  YVQQUHBNFISPNE-ZTFDZGNXSA-N

• Cite this record

  CSID:74878050, http://www.chemspider.com/Chemical-Structure.74878050.html (accessed 10:12, Jun 28, 2024)