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

Structural Information

Molecular Formula

C₁₇₅H₂₂₀N₇₁O₈₈P₁₇S₁₇

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)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)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=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C175H220N71O88P17S17/c1-67-32-234(173(263)226-153(67)249)111-14-70(248)89(301-111)36-283-335(266,352)326-79-23-119(237-57-199-129-139(181)191-53-195-143(129)237)309-97(79)44-291-339(270,356)322-76-20-116(233-13-8-110(180)213-172(233)262)306-94(76)41-288-343(274,360)325-78-22-118(236-34-69(3)155(251)228-175(236)265)308-96(78)43-290-345(276,362)330-83-27-124(242-62-204-134-148(242)215-163(186)221-157(134)253)313-101(83)48-295-341(272,358)323-75-19-115(232-12-7-109(179)212-171(232)261)304-92(75)39-286-338(269,355)320-73-17-113(230-10-5-107(177)210-169(230)259)305-93(73)40-287-342(273,359)324-77-21-117(235-33-68(2)154(250)227-174(235)264)307-95(77)42-289-344(275,361)327-80-24-120(238-58-200-130-140(182)192-54-196-144(130)238)311-99(80)46-293-346(277,363)328-82-26-122(240-60-202-132-142(184)194-56-198-146(132)240)312-100(82)47-294-348(279,365)331-84-28-125(243-63-205-135-149(243)216-164(187)222-158(135)254)315-103(84)50-297-350(281,367)333-86-30-127(245-65-207-137-151(245)218-166(189)224-160(137)256)317-105(86)52-299-351(282,368)334-87-31-128(246-66-208-138-152(246)219-167(190)225-161(138)257)316-104(87)51-298-349(280,366)332-85-29-126(244-64-206-136-150(244)217-165(188)223-159(136)255)314-102(85)49-296-347(278,364)329-81-25-121(239-59-201-131-141(183)193-55-197-145(131)239)310-98(81)45-292-340(271,357)321-74-18-114(231-11-6-108(178)211-170(231)260)303-91(74)38-285-337(268,354)319-72-16-112(229-9-4-106(176)209-168(229)258)302-90(72)37-284-336(267,353)318-71-15-123(300-88(71)35-247)241-61-203-133-147(241)214-162(185)220-156(133)252/h4-13,32-34,53-66,70-105,111-128,247-248H,14-31,35-52H2,1-3H3,(H,266,352)(H,267,353)(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)(H2,176,209,258)(H2,177,210,259)(H2,178,211,260)(H2,179,212,261)(H2,180,213,262)(H2,181,191,195)(H2,182,192,196)(H2,183,193,197)(H2,184,194,198)(H,226,249,263)(H,227,250,264)(H,228,251,265)(H3,185,214,220,252)(H3,186,215,221,253)(H3,187,216,222,254)(H3,188,217,223,255)(H3,189,218,224,256)(H3,190,219,225,257)

InChIKey

LWNIDRDNJAJIAP-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133546