CID 16131575
5'-dggggggtcctggaggctgca-3'
Structural Information
- Molecular Formula
- C196H244N83O119P19
- 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(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C196H244N83O119P19/c1-70-32-264(194(300)257-165(70)282)122-18-79(101(368-122)43-349-409(323,324)391-86-25-130(273-63-224-143-158(273)239-183(207)250-172(143)289)375-108(86)50-356-415(335,336)396-91-30-135(278-68-229-148-163(278)244-188(212)255-177(148)294)378-111(91)53-359-417(339,340)398-92-31-136(279-69-230-149-164(279)245-189(213)256-178(149)295)379-112(92)54-358-416(337,338)397-90-29-134(277-67-228-147-162(277)243-187(211)254-176(147)293)377-110(90)52-354-412(329,330)392-83-22-127(270-60-221-140-155(270)236-180(204)247-169(140)286)370-103(83)45-342-400(305,306)380-74-13-126(360-93(74)35-280)269-59-220-139-154(269)235-179(203)246-168(139)285)385-404(313,314)344-39-97-76(15-119(364-97)261-9-5-114(198)232-191(261)297)382-401(307,308)343-38-96-77(16-120(363-96)262-10-6-115(199)233-192(262)298)383-402(309,310)347-41-99-81(20-124(366-99)266-34-72(3)167(284)259-196(266)302)387-406(317,318)352-47-105-87(26-131(372-105)274-64-225-144-159(274)240-184(208)251-173(144)290)394-413(331,332)357-51-109-88(27-132(376-109)275-65-226-145-160(275)241-185(209)252-174(145)291)393-411(327,328)350-44-102-82(21-125(369-102)268-58-219-138-151(202)215-56-217-153(138)268)388-410(325,326)353-48-106-89(28-133(373-106)276-66-227-146-161(276)242-186(210)253-175(146)292)395-414(333,334)355-49-107-85(24-129(374-107)272-62-223-142-157(272)238-182(206)249-171(142)288)390-408(321,322)346-40-98-78(17-121(365-98)263-11-7-116(200)234-193(263)299)384-403(311,312)348-42-100-80(19-123(367-100)265-33-71(2)166(283)258-195(265)301)386-405(315,316)351-46-104-84(23-128(371-104)271-61-222-141-156(271)237-181(205)248-170(141)287)389-407(319,320)345-37-95-75(14-118(362-95)260-8-4-113(197)231-190(260)296)381-399(303,304)341-36-94-73(281)12-117(361-94)267-57-218-137-150(201)214-55-216-152(137)267/h4-11,32-34,55-69,73-112,117-136,280-281H,12-31,35-54H2,1-3H3,(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H2,197,231,296)(H2,198,232,297)(H2,199,233,298)(H2,200,234,299)(H2,201,214,216)(H2,202,215,217)(H,257,282,300)(H,258,283,301)(H,259,284,302)(H3,203,235,246,285)(H3,204,236,247,286)(H3,205,237,248,287)(H3,206,238,249,288)(H3,207,239,250,289)(H3,208,240,251,290)(H3,209,241,252,291)(H3,210,242,253,292)(H3,211,243,254,293)(H3,212,244,255,294)(H3,213,245,256,295)
- InChIKey
- OERPJFPAYSNMIK-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6253.0678 | 311.5 |
[M+Na]+ | 6275.0497 | 311.5 |
[M-H]- | 6251.0532 | 311.5 |
[M+NH4]+ | 6270.0943 | 311.5 |
[M+K]+ | 6291.0237 | 311.5 |
[M+H-H2O]+ | 6235.0578 | 311.5 |
[M+HCOO]- | 6297.0587 | 311.5 |
[M+CH3COO]- | 6311.0744 | 311.5 |
[M+Na-2H]- | 6273.0352 | 311.5 |
[M]+ | 6252.0600 | 311.5 |
[M]- | 6252.0610 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.