5'-d[cacgaaaggcatgaccgg]-3' phosphorothioate oligonucleotide

Structural Information

Molecular Formula

C₁₇₅H₂₁₈N₇₇O₈₄P₁₇S₁₇

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(=O)(OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(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=CC(=NC1=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)O

InChI

InChI=1S/C175H218N77O84P17S17/c1-67-30-240(175(267)234-157(67)255)115-18-74(325-343(274,360)299-46-101-84(28-125(317-101)251-65-215-137-155(251)226-168(191)232-162(137)260)335-352(283,369)295-42-97-76(20-117(313-97)242-56-206-128-140(182)194-50-200-146(128)242)328-345(276,362)289-34-89-70(14-111(305-89)236-8-3-105(177)218-171(236)263)321-339(270,356)287-33-88-71(15-112(304-88)237-9-4-106(178)219-172(237)264)323-341(272,358)297-44-99-81(25-122(315-99)248-62-212-134-152(248)223-165(188)229-159(134)257)326-337(268,354)285-32-87-68(254)12-109(303-87)247-61-211-133-151(247)222-164(187)228-158(133)256)92(308-115)37-291-347(278,364)329-77-21-118(243-57-207-129-141(183)195-51-201-147(129)243)310-94(77)39-292-340(271,357)322-72-16-113(238-10-5-107(179)220-173(238)265)307-91(72)36-290-346(277,363)333-82-26-123(249-63-213-135-153(249)224-166(189)230-160(135)258)319-103(82)48-301-353(284,370)336-85-29-126(252-66-216-138-156(252)227-169(192)233-163(138)261)318-102(85)47-300-350(281,367)332-80-24-121(246-60-210-132-144(186)198-54-204-150(132)246)312-96(80)41-294-348(279,365)330-78-22-119(244-58-208-130-142(184)196-52-202-148(130)244)311-95(78)40-293-349(280,366)331-79-23-120(245-59-209-131-143(185)197-53-203-149(131)245)314-98(79)43-296-351(282,368)334-83-27-124(250-64-214-136-154(250)225-167(190)231-161(136)259)316-100(83)45-298-342(273,359)324-73-17-114(239-11-6-108(180)221-174(239)266)306-90(73)35-288-344(275,361)327-75-19-116(241-55-205-127-139(181)193-49-199-145(127)241)309-93(75)38-286-338(269,355)320-69-13-110(302-86(69)31-253)235-7-2-104(176)217-170(235)262/h2-11,30,49-66,68-103,109-126,253-254H,12-29,31-48H2,1H3,(H,268,354)(H,269,355)(H,270,356)(H,271,357)(H,272,358)(H,273,359)(H,274,360)(H,275,361)(H,276,362)(H,277,363)(H,278,364)(H,279,365)(H,280,366)(H,281,367)(H,282,368)(H,283,369)(H,284,370)(H2,176,217,262)(H2,177,218,263)(H2,178,219,264)(H2,179,220,265)(H2,180,221,266)(H2,181,193,199)(H2,182,194,200)(H2,183,195,201)(H2,184,196,202)(H2,185,197,203)(H2,186,198,204)(H,234,255,267)(H3,187,222,228,256)(H3,188,223,229,257)(H3,189,224,230,258)(H3,190,225,231,259)(H3,191,226,232,260)(H3,192,227,233,261)

InChIKey

PGGBFDZUCCJXKC-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133541