5'-ccccgagtggacg-3'

Structural Information

Molecular Formula

C₁₂₅H₁₅₉N₅₂O₆₅P₁₃S₁₃

SMILES

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

InChI

InChI=1S/C125H159N52O65P13S13/c1-48-25-170(125(190)164-109(48)179)86-18-55(236-249(198,262)215-36-72-60(23-91(228-72)176-46-147-98-107(176)157-118(136)162-113(98)183)242-255(204,268)217-38-74-61(24-92(230-74)177-47-148-99-108(177)158-119(137)163-114(99)184)241-254(203,267)212-33-69-56(19-87(225-69)171-41-142-93-100(131)138-39-140-102(93)171)237-250(199,263)210-28-64-51(14-82(220-64)166-8-3-76(127)150-121(166)186)232-244(193,257)206-26-62-49(178)12-80(218-62)173-43-144-95-104(173)154-115(133)159-110(95)180)68(224-86)32-211-251(200,264)239-58-21-89(174-44-145-96-105(174)155-116(134)160-111(96)181)229-73(58)37-216-252(201,265)238-57-20-88(172-42-143-94-101(132)139-40-141-103(94)172)226-70(57)34-213-253(202,266)240-59-22-90(175-45-146-97-106(175)156-117(135)161-112(97)182)227-71(59)35-214-248(197,261)235-54-17-85(169-11-6-79(130)153-124(169)189)223-67(54)31-209-247(196,260)234-53-16-84(168-10-5-78(129)152-123(168)188)222-66(53)30-208-246(195,259)233-52-15-83(167-9-4-77(128)151-122(167)187)221-65(52)29-207-245(194,258)231-50-13-81(165-7-2-75(126)149-120(165)185)219-63(50)27-205-243(191,192)256/h2-11,25,39-47,49-74,80-92,178H,12-24,26-38H2,1H3,(H,193,257)(H,194,258)(H,195,259)(H,196,260)(H,197,261)(H,198,262)(H,199,263)(H,200,264)(H,201,265)(H,202,266)(H,203,267)(H,204,268)(H2,126,149,185)(H2,127,150,186)(H2,128,151,187)(H2,129,152,188)(H2,130,153,189)(H2,131,138,140)(H2,132,139,141)(H,164,179,190)(H2,191,192,256)(H3,133,154,159,180)(H3,134,155,160,181)(H3,135,156,161,182)(H3,136,157,162,183)(H3,137,158,163,184)

InChIKey

VWILIIMBLHFMMJ-UHFFFAOYSA-N

Compound name

1-[4-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(dihydroxyphosphinothioyloxymethyl)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]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16204643