5'-d(ggtttttgt)-3'-fi

Structural Information

Molecular Formula

C₁₁₁H₁₂₆N₂₈O₆₃P₈S

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)OC(=S)NC1=CC(=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C111H126N28O63P8S/c1-43-25-131(105(154)125-92(43)143)76-16-58(194-111(211)118-49-7-10-52(55(13-49)101(152)153)85-53-11-8-50(141)14-56(53)184-57-15-51(142)9-12-54(57)85)68(186-76)32-176-204(162,163)201-65-23-83(138-41-116-87-90(138)120-103(113)123-99(87)150)193-75(65)39-183-209(172,173)200-64-22-81(136-30-48(6)97(148)130-110(136)159)190-72(64)36-181-207(168,169)198-62-20-79(134-28-46(4)95(146)128-108(134)157)188-70(62)34-179-205(164,165)196-60-18-77(132-26-44(2)93(144)126-106(132)155)187-69(60)33-178-206(166,167)197-61-19-78(133-27-45(3)94(145)127-107(133)156)189-71(61)35-180-208(170,171)199-63-21-80(135-29-47(5)96(147)129-109(135)158)191-73(63)37-182-210(174,175)202-66-24-84(139-42-117-88-91(139)121-104(114)124-100(88)151)192-74(66)38-177-203(160,161)195-59-17-82(185-67(59)31-140)137-40-115-86-89(137)119-102(112)122-98(86)149/h7-15,25-30,40-42,58-84,140-141H,16-24,31-39H2,1-6H3,(H,118,211)(H,152,153)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,125,143,154)(H,126,144,155)(H,127,145,156)(H,128,146,157)(H,129,147,158)(H,130,148,159)(H3,112,119,122,149)(H3,113,120,123,150)(H3,114,121,124,151)/t58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+/m0/s1

InChIKey

XRMLUCMRUSSMKO-DRAXZDPPSA-N

Compound name

5-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxycarbothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Related CIDs

• CID 16729333