Dmtr-tgggaggtg-3'

Structural Information

Molecular Formula

C₁₁₁H₁₃₀N₃₉O₅₈P₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C111H130N39O58P9/c1-46-27-142(109(160)140-95(46)152)72-19-54(200-209(162,163)182-29-62-53(151)18-71(191-62)145-40-122-81-89(145)128-103(113)134-97(81)154)63(192-72)30-183-211(166,167)203-57-22-75(146-41-123-82-90(146)129-104(114)135-98(82)155)197-67(57)34-187-215(174,175)206-60-25-78(149-44-126-85-93(149)132-107(117)138-101(85)158)196-66(60)33-186-212(168,169)202-56-21-74(144-39-121-80-87(112)119-38-120-88(80)144)194-64(56)31-184-213(170,171)204-59-24-77(148-43-125-84-92(148)131-106(116)137-100(84)157)198-68(59)35-188-216(176,177)207-61-26-79(150-45-127-86-94(150)133-108(118)139-102(86)159)199-69(61)36-189-214(172,173)205-58-23-76(147-42-124-83-91(147)130-105(115)136-99(83)156)195-65(58)32-185-210(164,165)201-55-20-73(143-28-47(2)96(153)141-110(143)161)193-70(55)37-190-217(178,179)208-111(48-8-6-5-7-9-48,49-10-14-51(180-3)15-11-49)50-12-16-52(181-4)17-13-50/h5-17,27-28,38-45,53-79,151H,18-26,29-37H2,1-4H3,(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H2,112,119,120)(H,140,152,160)(H,141,153,161)(H3,113,128,134,154)(H3,114,129,135,155)(H3,115,130,136,156)(H3,116,131,137,157)(H3,117,132,138,158)(H3,118,133,139,159)

InChIKey

JTWHASZYQLWKKM-UHFFFAOYSA-N

Compound name

[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [bis(4-methoxyphenyl)-phenylmethyl] hydrogen phosphate

Related CIDs

• CID 16197653