CID 16130330
Mismatched oligo
Structural Information
- Molecular Formula
- C244H307N95O123P24S24
- 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(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C244H307N95O123P24S24/c1-95-44-321(239(360)309-215(95)342)164-27-109(446-463(366,487)390-51-127-101(341)19-157(415-127)327-82-278-182-195(251)264-75-271-202(182)327)134(422-164)58-397-481(384,505)457-120-38-176(334-89-285-189-209(334)297-227(258)303-221(189)348)434-146(120)70-409-466(369,490)441-104-22-159(316-14-8-152(246)292-234(316)355)417-129(104)53-392-476(379,500)452-115-33-171(329-84-280-184-197(253)266-77-273-204(184)329)429-141(115)65-404-472(375,496)448-111-29-166(323-46-97(3)217(344)311-241(323)362)424-136(111)60-399-483(386,507)459-122-40-178(336-91-287-191-211(336)299-229(260)305-223(191)350)436-148(122)72-411-468(371,492)443-106-24-161(318-16-10-154(248)294-236(318)357)419-131(106)55-394-478(381,502)454-117-35-173(331-86-282-186-199(255)268-79-275-206(186)331)431-143(117)67-406-474(377,498)450-113-31-168(325-48-99(5)219(346)313-243(325)364)426-138(113)62-401-485(388,509)461-124-42-180(338-93-289-193-213(338)301-231(262)307-225(193)352)438-150(124)74-413-470(373,494)445-108-26-163(320-18-12-156(250)296-238(320)359)421-133(108)57-396-480(383,504)456-119-37-175(333-88-284-188-201(257)270-81-277-208(188)333)432-144(119)68-407-475(378,499)451-114-32-169(326-49-100(6)220(347)314-244(326)365)427-139(114)63-402-486(389,510)462-125-43-181(339-94-290-194-214(339)302-232(263)308-226(194)353)437-149(125)73-412-469(372,493)444-107-25-162(319-17-11-155(249)295-237(319)358)420-132(107)56-395-479(382,503)455-118-36-174(332-87-283-187-200(256)269-80-276-207(187)332)430-142(118)66-405-473(376,497)449-112-30-167(324-47-98(4)218(345)312-242(324)363)425-137(112)61-400-484(387,508)460-123-41-179(337-92-288-192-212(337)300-230(261)306-224(192)351)435-147(123)71-410-467(370,491)442-105-23-160(317-15-9-153(247)293-235(317)356)418-130(105)54-393-477(380,501)453-116-34-172(330-85-281-185-198(254)267-78-274-205(185)330)428-140(116)64-403-471(374,495)447-110-28-165(322-45-96(2)216(343)310-240(322)361)423-135(110)59-398-482(385,506)458-121-39-177(335-90-286-190-210(335)298-228(259)304-222(190)349)433-145(121)69-408-465(368,489)440-103-21-158(315-13-7-151(245)291-233(315)354)416-128(103)52-391-464(367,488)439-102-20-170(414-126(102)50-340)328-83-279-183-196(252)265-76-272-203(183)328/h7-18,44-49,75-94,101-150,157-181,340-341H,19-43,50-74H2,1-6H3,(H,366,487)(H,367,488)(H,368,489)(H,369,490)(H,370,491)(H,371,492)(H,372,493)(H,373,494)(H,374,495)(H,375,496)(H,376,497)(H,377,498)(H,378,499)(H,379,500)(H,380,501)(H,381,502)(H,382,503)(H,383,504)(H,384,505)(H,385,506)(H,386,507)(H,387,508)(H,388,509)(H,389,510)(H2,245,291,354)(H2,246,292,355)(H2,247,293,356)(H2,248,294,357)(H2,249,295,358)(H2,250,296,359)(H2,251,264,271)(H2,252,265,272)(H2,253,266,273)(H2,254,267,274)(H2,255,268,275)(H2,256,269,276)(H2,257,270,277)(H,309,342,360)(H,310,343,361)(H,311,344,362)(H,312,345,363)(H,313,346,364)(H,314,347,365)(H3,258,297,303,348)(H3,259,298,304,349)(H3,260,299,305,350)(H3,261,300,306,351)(H3,262,301,307,352)(H3,263,302,308,353)
- InChIKey
- UPKVNYSOEWZBCU-UHFFFAOYSA-N
- Compound name
- 1-[5-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[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-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]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-(6-aminopurin-9-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-(6-aminopurin-9-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-(6-aminopurin-9-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-(6-aminopurin-9-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-(6-aminopurin-9-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]-4-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 8046.7763 | 311.5 |
[M+Na]+ | 8068.7582 | 311.5 |
[M-H]- | 8044.7617 | 311.5 |
[M+NH4]+ | 8063.8028 | 311.5 |
[M+K]+ | 8084.7322 | 311.5 |
[M+H-H2O]+ | 8028.7663 | 311.5 |
[M+HCOO]- | 8090.7672 | 311.5 |
[M+CH3COO]- | 8104.7829 | 311.5 |
[M+Na-2H]- | 8066.7437 | 311.5 |
[M]+ | 8045.7685 | 311.5 |
[M]- | 8045.7695 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.