5'-dgggggggggg-3', phosphorothioate oligodeoxynucleotide

Structural Information

Molecular Formula

C₁₀₀H₁₂₁N₅₀O₄₉P₉S₉

SMILES

C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=O)(OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C100H121N50O49P9S9/c101-91-121-71-61(81(153)131-91)111-21-141(71)51-1-31(152)42(182-51)12-172-200(163,209)192-33-3-53(143-23-113-63-73(143)123-93(103)133-83(63)155)184-44(33)14-174-202(165,211)194-35-5-55(145-25-115-65-75(145)125-95(105)135-85(65)157)186-46(35)16-176-204(167,213)196-37-7-57(147-27-117-67-77(147)127-97(107)137-87(67)159)188-48(37)18-178-206(169,215)198-39-9-59(149-29-119-69-79(149)129-99(109)139-89(69)161)190-50(39)20-180-208(171,217)199-40-10-60(150-30-120-70-80(150)130-100(110)140-90(70)162)189-49(40)19-179-207(170,216)197-38-8-58(148-28-118-68-78(148)128-98(108)138-88(68)160)187-47(38)17-177-205(168,214)195-36-6-56(146-26-116-66-76(146)126-96(106)136-86(66)158)185-45(36)15-175-203(166,212)193-34-4-54(144-24-114-64-74(144)124-94(104)134-84(64)156)183-43(34)13-173-201(164,210)191-32-2-52(181-41(32)11-151)142-22-112-62-72(142)122-92(102)132-82(62)154/h21-60,151-152H,1-20H2,(H,163,209)(H,164,210)(H,165,211)(H,166,212)(H,167,213)(H,168,214)(H,169,215)(H,170,216)(H,171,217)(H3,101,121,131,153)(H3,102,122,132,154)(H3,103,123,133,155)(H3,104,124,134,156)(H3,105,125,135,157)(H3,106,126,136,158)(H3,107,127,137,159)(H3,108,128,138,160)(H3,109,129,139,161)(H3,110,130,140,162)

InChIKey

PHKHKNJEVDQSNC-UHFFFAOYSA-N

Compound name

2-amino-9-[5-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one

Related CIDs

• CID 16204696