CID 16133585
S-dt(21) oligonucleotide phosphorothioate
Structural Information
- Molecular Formula
- C230H300N46O137P22S22
- 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(=S)(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(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C230H300N46O137P22S22/c1-93-47-254(208(302)231-185(93)279)162-24-116(278)140(370-162)71-347-414(325,436)393-118-26-164(256-49-95(3)187(281)233-210(256)304)372-142(118)73-349-416(327,438)395-120-28-166(258-51-97(5)189(283)235-212(258)306)374-144(120)75-351-418(329,440)397-122-30-168(260-53-99(7)191(285)237-214(260)308)376-146(122)77-353-420(331,442)399-124-32-170(262-55-101(9)193(287)239-216(262)310)378-148(124)79-355-422(333,444)401-126-34-172(264-57-103(11)195(289)241-218(264)312)380-150(126)81-357-424(335,446)403-128-36-174(266-59-105(13)197(291)243-220(266)314)382-152(128)83-359-426(337,448)405-130-38-176(268-61-107(15)199(293)245-222(268)316)384-154(130)85-361-428(339,450)407-132-40-178(270-63-109(17)201(295)247-224(270)318)386-156(132)87-363-430(341,452)409-134-42-180(272-65-111(19)203(297)249-226(272)320)388-158(134)89-365-432(343,454)411-136-44-182(274-67-113(21)205(299)251-228(274)322)390-160(136)91-367-434(345,456)413-138-46-184(276-69-115(23)207(301)253-230(276)324)391-161(138)92-368-435(346,457)412-137-45-183(275-68-114(22)206(300)252-229(275)323)389-159(137)90-366-433(344,455)410-135-43-181(273-66-112(20)204(298)250-227(273)321)387-157(135)88-364-431(342,453)408-133-41-179(271-64-110(18)202(296)248-225(271)319)385-155(133)86-362-429(340,451)406-131-39-177(269-62-108(16)200(294)246-223(269)317)383-153(131)84-360-427(338,449)404-129-37-175(267-60-106(14)198(292)244-221(267)315)381-151(129)82-358-425(336,447)402-127-35-173(265-58-104(12)196(290)242-219(265)313)379-149(127)80-356-423(334,445)400-125-33-171(263-56-102(10)194(288)240-217(263)311)377-147(125)78-354-421(332,443)398-123-31-169(261-54-100(8)192(286)238-215(261)309)375-145(123)76-352-419(330,441)396-121-29-167(259-52-98(6)190(284)236-213(259)307)373-143(121)74-350-417(328,439)394-119-27-165(257-50-96(4)188(282)234-211(257)305)371-141(119)72-348-415(326,437)392-117-25-163(369-139(117)70-277)255-48-94(2)186(280)232-209(255)303/h47-69,116-184,277-278H,24-46,70-92H2,1-23H3,(H,325,436)(H,326,437)(H,327,438)(H,328,439)(H,329,440)(H,330,441)(H,331,442)(H,332,443)(H,333,444)(H,334,445)(H,335,446)(H,336,447)(H,337,448)(H,338,449)(H,339,450)(H,340,451)(H,341,452)(H,342,453)(H,343,454)(H,344,455)(H,345,456)(H,346,457)(H,231,279,302)(H,232,280,303)(H,233,281,304)(H,234,282,305)(H,235,283,306)(H,236,284,307)(H,237,285,308)(H,238,286,309)(H,239,287,310)(H,240,288,311)(H,241,289,312)(H,242,290,313)(H,243,291,314)(H,244,292,315)(H,245,293,316)(H,246,294,317)(H,247,295,318)(H,248,296,319)(H,249,297,320)(H,250,298,321)(H,251,299,322)(H,252,300,323)(H,253,301,324)
- InChIKey
- OGKLNIIQPHLUMI-UHFFFAOYSA-N
- Compound name
- 1-[4-hydroxy-5-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 7283.6079 | 311.5 |
[M+Na]+ | 7305.5898 | 311.5 |
[M-H]- | 7281.5933 | 311.5 |
[M+NH4]+ | 7300.6344 | 311.5 |
[M+K]+ | 7321.5638 | 311.5 |
[M+H-H2O]+ | 7265.5979 | 311.5 |
[M+HCOO]- | 7327.5988 | 311.5 |
[M+CH3COO]- | 7341.6145 | 311.5 |
[M+Na-2H]- | 7303.5753 | 311.5 |
[M]+ | 7282.6001 | 311.5 |
[M]- | 7282.6011 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.