CID 16130133
20 mers oligoribonucleotide, phosphodiester
Structural Information
- Molecular Formula
- C191H237N78O134P19
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=NC5=C(N=CN=C54)N)CO)OP(=O)(O)OCC6C(C(C(O6)N7C=NC8=C(N=CN=C87)N)O)OP(=O)(O)OCC9C(C(C(O9)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)O)O
- InChI
- InChI=1S/C191H237N78O134P19/c192-78-1-10-250(183(299)235-78)161-101(278)120(60(367-161)21-347-405(310,311)385-119-58(19-270)365-170(100(119)277)259-47-224-87-138(197)208-39-216-146(87)259)389-411(322,323)356-30-69-129(110(287)171(376-69)260-48-225-88-139(198)209-40-217-147(88)260)396-415(330,331)353-25-64-123(104(281)164(371-64)253-13-4-81(195)238-186(253)302)387-407(314,315)348-22-61-121(102(279)162(368-61)251-11-2-79(193)236-184(251)300)386-406(312,313)349-23-63-124(105(282)165(370-63)254-14-5-82(196)239-187(254)303)390-412(324,325)357-31-70-132(113(290)174(377-70)263-51-228-91-142(201)212-43-220-150(91)263)399-418(336,337)358-32-71-130(111(288)172(378-71)261-49-226-89-140(199)210-41-218-148(89)261)397-416(332,333)354-28-67-126(107(284)167(374-67)256-16-7-84(272)241-189(256)305)392-410(320,321)352-27-65-125(106(283)166(372-65)255-15-6-83(271)240-188(255)304)391-409(318,319)350-24-62-122(103(280)163(369-62)252-12-3-80(194)237-185(252)301)388-408(316,317)351-26-66-127(108(285)168(373-66)257-17-8-85(273)242-190(257)306)393-414(328,329)364-38-77-137(118(295)179(384-77)269-57-234-97-156(269)246-182(207)249-159(97)298)403-422(344,345)362-36-75-135(116(293)177(382-75)266-54-231-94-145(204)215-46-223-153(94)266)402-421(342,343)361-35-74-134(115(292)176(381-74)265-53-230-93-144(203)214-45-222-152(93)265)401-420(340,341)360-34-73-133(114(291)175(380-73)264-52-229-92-143(202)213-44-221-151(92)264)400-419(338,339)359-33-72-131(112(289)173(379-72)262-50-227-90-141(200)211-42-219-149(90)262)398-417(334,335)355-29-68-128(109(286)169(375-68)258-18-9-86(274)243-191(258)307)394-413(326,327)363-37-76-136(117(294)178(383-76)268-56-233-96-155(268)245-181(206)248-158(96)297)395-404(308,309)346-20-59-98(275)99(276)160(366-59)267-55-232-95-154(267)244-180(205)247-157(95)296/h1-18,39-77,98-137,160-179,270,275-295H,19-38H2,(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H2,192,235,299)(H2,193,236,300)(H2,194,237,301)(H2,195,238,302)(H2,196,239,303)(H2,197,208,216)(H2,198,209,217)(H2,199,210,218)(H2,200,211,219)(H2,201,212,220)(H2,202,213,221)(H2,203,214,222)(H2,204,215,223)(H,240,271,304)(H,241,272,305)(H,242,273,306)(H,243,274,307)(H3,205,244,247,296)(H3,206,245,248,297)(H3,207,246,249,298)
- InChIKey
- KAURXJGZLMVZDZ-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6355.9219 | 311.5 |
[M+Na]+ | 6377.9038 | 311.5 |
[M-H]- | 6353.9073 | 311.5 |
[M+NH4]+ | 6372.9484 | 311.5 |
[M+K]+ | 6393.8778 | 311.5 |
[M+H-H2O]+ | 6337.9119 | 311.5 |
[M+HCOO]- | 6399.9128 | 311.5 |
[M+CH3COO]- | 6413.9285 | 311.5 |
[M+Na-2H]- | 6375.8893 | 311.5 |
[M]+ | 6354.9141 | 311.5 |
[M]- | 6354.9151 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.