CID 16133569
5'-d[ttggggttggggttggggttgggg]-3' phosphorothioate oligonucleotide
Structural Information
- Molecular Formula
- C240H297N96O127P23S23
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=S)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C9N=C(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)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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(=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(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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=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=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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(=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)S
- InChI
- InChI=1S/C240H297N96O127P23S23/c1-81-33-313(233(363)305-193(81)339)138-10-90(113(41-337)417-138)441-465(372,488)395-43-115-91(11-139(419-115)314-34-82(2)194(340)306-234(314)364)445-469(376,492)402-51-123-102(22-150(427-123)326-70-262-166-182(326)278-222(246)294-206(166)352)453-478(385,501)411-59-131-110(30-158(435-131)334-78-270-174-190(334)286-230(254)302-214(174)360)461-484(391,507)414-62-134-107(27-155(438-134)331-75-267-171-187(331)283-227(251)299-211(171)357)458-481(388,504)407-55-127-99(19-147(431-127)323-67-259-163-179(323)275-219(243)291-203(163)349)450-474(381,497)400-48-120-93(13-141(424-120)316-36-84(4)196(342)308-236(316)366)443-467(374,490)397-45-117-96(16-144(421-117)319-39-87(7)199(345)311-239(319)369)447-471(378,494)404-53-125-104(24-152(429-125)328-72-264-168-184(328)280-224(248)296-208(168)354)455-480(387,503)413-61-133-112(32-160(437-133)336-80-272-176-192(336)288-232(256)304-216(176)362)463-486(393,509)416-64-136-109(29-157(440-136)333-77-269-173-189(333)285-229(253)301-213(173)359)460-483(390,506)409-57-129-101(21-149(433-129)325-69-261-165-181(325)277-221(245)293-205(165)351)452-475(382,498)401-49-121-94(14-142(425-121)317-37-85(5)197(343)309-237(317)367)444-468(375,491)398-46-118-97(17-145(422-118)320-40-88(8)200(346)312-240(320)370)448-472(379,495)405-54-126-105(25-153(430-126)329-73-265-169-185(329)281-225(249)297-209(169)355)456-479(386,502)412-60-132-111(31-159(436-132)335-79-271-175-191(335)287-231(255)303-215(175)361)462-485(392,508)415-63-135-108(28-156(439-135)332-76-268-172-188(332)284-228(252)300-212(172)358)459-482(389,505)408-56-128-100(20-148(432-128)324-68-260-164-180(324)276-220(244)292-204(164)350)451-473(380,496)399-47-119-92(12-140(423-119)315-35-83(3)195(341)307-235(315)365)442-466(373,489)396-44-116-95(15-143(420-116)318-38-86(6)198(344)310-238(318)368)446-470(377,493)403-52-124-103(23-151(428-124)327-71-263-167-183(327)279-223(247)295-207(167)353)454-477(384,500)410-58-130-106(26-154(434-130)330-74-266-170-186(330)282-226(250)298-210(170)356)457-476(383,499)406-50-122-98(18-146(426-122)322-66-258-162-178(322)274-218(242)290-202(162)348)449-464(371,487)394-42-114-89(338)9-137(418-114)321-65-257-161-177(321)273-217(241)289-201(161)347/h33-40,65-80,89-160,337-338H,9-32,41-64H2,1-8H3,(H,371,487)(H,372,488)(H,373,489)(H,374,490)(H,375,491)(H,376,492)(H,377,493)(H,378,494)(H,379,495)(H,380,496)(H,381,497)(H,382,498)(H,383,499)(H,384,500)(H,385,501)(H,386,502)(H,387,503)(H,388,504)(H,389,505)(H,390,506)(H,391,507)(H,392,508)(H,393,509)(H,305,339,363)(H,306,340,364)(H,307,341,365)(H,308,342,366)(H,309,343,367)(H,310,344,368)(H,311,345,369)(H,312,346,370)(H3,241,273,289,347)(H3,242,274,290,348)(H3,243,275,291,349)(H3,244,276,292,350)(H3,245,277,293,351)(H3,246,278,294,352)(H3,247,279,295,353)(H3,248,280,296,354)(H3,249,281,297,355)(H3,250,282,298,356)(H3,251,283,299,357)(H3,252,284,300,358)(H3,253,285,301,359)(H3,254,286,302,360)(H3,255,287,303,361)(H3,256,288,304,362)
- InChIKey
- ANPKMXVGTJVKKC-UHFFFAOYSA-N
- Compound name
- 1-[4-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)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]+ | 8003.7348 | 311.5 |
[M+Na]+ | 8025.7167 | 311.5 |
[M-H]- | 8001.7202 | 311.5 |
[M+NH4]+ | 8020.7613 | 311.5 |
[M+K]+ | 8041.6907 | 311.5 |
[M+H-H2O]+ | 7985.7248 | 311.5 |
[M+HCOO]- | 8047.7257 | 311.5 |
[M+CH3COO]- | 8061.7414 | 311.5 |
[M+Na-2H]- | 8023.7022 | 311.5 |
[M]+ | 8002.7270 | 311.5 |
[M]- | 8002.7280 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.