CID 16131576
5'-dgggggggtcctggaggctgc-3'
Structural Information
- Molecular Formula
- C196H244N83O120P19
- 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(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=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)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=C1N=C(NC2=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=CC(=NC1=O)N)O
- InChI
- InChI=1S/C196H244N83O120P19/c1-69-32-264(194(301)257-163(69)282)120-17-77(99(368-120)42-349-409(322,323)391-84-24-128(272-61-221-141-155(272)237-182(206)249-170(141)289)375-106(84)49-356-415(334,335)396-89-29-133(277-66-226-146-160(277)242-187(211)254-175(146)294)378-109(89)52-359-417(338,339)398-91-31-135(279-68-228-148-162(279)244-189(213)256-177(148)296)380-111(91)54-360-418(340,341)399-90-30-134(278-67-227-147-161(278)243-188(212)255-176(147)295)379-110(90)53-358-416(336,337)397-88-28-132(276-65-225-145-159(276)241-186(210)253-174(145)293)377-108(88)51-354-412(328,329)392-82-22-126(270-59-219-139-153(270)235-180(204)247-168(139)287)370-101(82)44-343-401(306,307)381-73-13-124(361-92(73)35-280)268-57-217-137-151(268)233-178(202)245-166(137)285)385-405(314,315)345-38-95-74(14-117(364-95)261-9-5-113(198)230-191(261)298)382-402(308,309)344-37-94-75(15-118(363-94)262-10-6-114(199)231-192(262)299)383-403(310,311)347-41-98-79(19-122(367-98)266-34-71(3)165(284)259-196(266)303)387-407(318,319)352-46-103-85(25-129(372-103)273-62-222-142-156(273)238-183(207)250-171(142)290)394-413(330,331)357-50-107-86(26-130(376-107)274-63-223-143-157(274)239-184(208)251-172(143)291)393-411(326,327)350-43-100-80(20-123(369-100)267-56-216-136-149(201)214-55-215-150(136)267)389-410(324,325)353-47-104-87(27-131(373-104)275-64-224-144-158(275)240-185(209)252-173(144)292)395-414(332,333)355-48-105-83(23-127(374-105)271-60-220-140-154(271)236-181(205)248-169(140)288)390-408(320,321)346-39-96-76(16-119(365-96)263-11-7-115(200)232-193(263)300)384-404(312,313)348-40-97-78(18-121(366-97)265-33-70(2)164(283)258-195(265)302)386-406(316,317)351-45-102-81(21-125(371-102)269-58-218-138-152(269)234-179(203)246-167(138)286)388-400(304,305)342-36-93-72(281)12-116(362-93)260-8-4-112(197)229-190(260)297/h4-11,32-34,55-68,72-111,116-135,280-281H,12-31,35-54H2,1-3H3,(H,304,305)(H,306,307)(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)(H2,197,229,297)(H2,198,230,298)(H2,199,231,299)(H2,200,232,300)(H2,201,214,215)(H,257,282,301)(H,258,283,302)(H,259,284,303)(H3,202,233,245,285)(H3,203,234,246,286)(H3,204,235,247,287)(H3,205,236,248,288)(H3,206,237,249,289)(H3,207,238,250,290)(H3,208,239,251,291)(H3,209,240,252,292)(H3,210,241,253,293)(H3,211,242,254,294)(H3,212,243,255,295)(H3,213,244,256,296)
- InChIKey
- DNHJRRNDCWHIHP-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-[[[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]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-hydroxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6269.0630 | 311.5 |
[M+Na]+ | 6291.0449 | 311.5 |
[M-H]- | 6267.0484 | 311.5 |
[M+NH4]+ | 6286.0895 | 311.5 |
[M+K]+ | 6307.0189 | 311.5 |
[M+H-H2O]+ | 6251.0530 | 311.5 |
[M+HCOO]- | 6313.0539 | 311.5 |
[M+CH3COO]- | 6327.0696 | 311.5 |
[M+Na-2H]- | 6289.0304 | 311.5 |
[M]+ | 6268.0552 | 311.5 |
[M]- | 6268.0562 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.