CID 16132012
5'-tcaggatggagacgcctaat-3'
Structural Information
- Molecular Formula
- C196H245N80O118P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO[P+](=O)O)N1C=C(C(=O)NC1=O)C)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=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C196H244N80O118P20/c1-75-33-261(193(292)253-173(75)278)123-13-79(277)99(356-123)38-337-396(298,299)383-87-21-131(265-63-225-143-155(201)213-57-219-161(143)265)364-107(87)45-346-407(320,321)386-91-25-135(269-67-229-147-159(205)217-61-223-165(147)269)366-109(91)47-345-402(310,311)381-85-19-129(263-35-77(3)175(280)255-195(263)294)362-105(85)43-342-399(304,305)378-83-16-126(259-11-7-121(199)239-191(259)290)359-102(83)40-339-398(302,303)377-82-15-125(258-10-6-120(198)238-190(258)289)361-104(82)42-341-405(316,317)389-93-27-137(271-69-231-149-167(271)241-183(207)247-177(149)282)370-113(93)51-350-401(308,309)380-84-17-127(260-12-8-122(200)240-192(260)291)360-103(84)41-340-404(314,315)384-88-22-132(266-64-226-144-156(202)214-58-220-162(144)266)367-110(88)48-347-410(326,327)390-95-29-139(273-71-233-151-169(273)243-185(209)249-179(151)284)372-115(95)53-352-409(324,325)388-92-26-136(270-68-230-148-160(206)218-62-224-166(148)270)369-112(92)50-349-412(330,331)392-97-31-141(275-73-235-153-171(275)245-187(211)251-181(153)286)374-117(97)55-354-413(332,333)393-94-28-138(272-70-232-150-168(272)242-184(208)248-178(150)283)371-114(94)52-351-403(312,313)382-86-20-130(264-36-78(4)176(281)256-196(264)295)363-106(86)44-343-406(318,319)385-89-23-133(267-65-227-145-157(203)215-59-221-163(145)267)368-111(89)49-348-411(328,329)391-96-30-140(274-72-234-152-170(274)244-186(210)250-180(152)285)375-118(96)56-355-414(334,335)394-98-32-142(276-74-236-154-172(276)246-188(212)252-182(154)287)373-116(98)54-353-408(322,323)387-90-24-134(268-66-228-146-158(204)216-60-222-164(146)268)365-108(90)46-344-400(306,307)379-81-14-124(257-9-5-119(197)237-189(257)288)358-101(81)39-338-397(300,301)376-80-18-128(357-100(80)37-336-395(296)297)262-34-76(2)174(279)254-194(262)293/h5-12,33-36,57-74,79-118,123-142,277H,13-32,37-56H2,1-4H3,(H61-,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,237,238,239,240,241,242,243,244,245,246,247,248,249,250,251,252,253,254,255,256,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,299,300,301,302,303,304,305,306,307,308,309,310,311,312,313,314,315,316,317,318,319,320,321,322,323,324,325,326,327,328,329,330,331,332,333,334,335)/p+1
- InChIKey
- KJVRWAFYPOPNNT-UHFFFAOYSA-O
- Compound name
- [3-[[3-[[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-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 6227.0453 | 311.5 |
| [M+Na]+ | 6249.0272 | 311.5 |
| [M-H]- | 6225.0307 | 311.5 |
| [M+NH4]+ | 6244.0718 | 311.5 |
| [M+K]+ | 6265.0012 | 311.5 |
| [M+H-H2O]+ | 6209.0353 | 311.5 |
| [M+HCOO]- | 6271.0362 | 311.5 |
| [M+CH3COO]- | 6285.0519 | 311.5 |
| [M+Na-2H]- | 6247.0127 | 311.5 |
| [M]+ | 6226.0375 | 311.5 |
| [M]- | 6226.0385 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.