CID 16130811
A-a-g-g-g-t-g-g-g-t-g-g-g-t-g-g-g-t-t-t
Structural Information
- Molecular Formula
- C200H248N82O125P20
- 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(OC1COP(=O)(O)O)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)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=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=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=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=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C200H248N82O125P20/c1-69-27-263(195(302)257-165(69)284)115-7-75(283)95(369-115)33-350-409(311,312)389-76-8-116(264-28-70(2)166(285)258-196(264)303)370-97(76)35-351-410(313,314)390-77-9-117(265-29-71(3)167(286)259-197(265)304)371-98(77)36-352-415(323,324)396-83-15-123(271-57-221-137-153(271)233-183(203)245-171(137)290)381-107(83)45-361-423(339,340)404-91-23-131(279-65-229-145-161(279)241-191(211)253-179(145)298)385-111(91)49-365-420(333,334)400-87-19-127(275-61-225-141-157(275)237-187(207)249-175(141)294)377-103(87)41-357-411(315,316)391-78-10-118(266-30-72(4)168(287)260-198(266)305)372-99(78)37-353-416(325,326)397-84-16-124(272-58-222-138-154(272)234-184(204)246-172(138)291)382-108(84)46-362-424(341,342)405-92-24-132(280-66-230-146-162(280)242-192(212)254-180(146)299)386-112(92)50-366-421(335,336)401-88-20-128(276-62-226-142-158(276)238-188(208)250-176(142)295)378-104(88)42-358-412(317,318)392-79-11-119(267-31-73(5)169(288)261-199(267)306)373-100(79)38-354-417(327,328)398-85-17-125(273-59-223-139-155(273)235-185(205)247-173(139)292)383-109(85)47-363-425(343,344)406-93-25-133(281-67-231-147-163(281)243-193(213)255-181(147)300)387-113(93)51-367-422(337,338)402-89-21-129(277-63-227-143-159(277)239-189(209)251-177(143)296)379-105(89)43-359-413(319,320)393-80-12-120(268-32-74(6)170(289)262-200(268)307)374-101(80)39-355-418(329,330)399-86-18-126(274-60-224-140-156(274)236-186(206)248-174(140)293)384-110(86)48-364-426(345,346)407-94-26-134(282-68-232-148-164(282)244-194(214)256-182(148)301)388-114(94)52-368-427(347,348)403-90-22-130(278-64-228-144-160(278)240-190(210)252-178(144)297)380-106(90)44-360-419(331,332)395-82-14-122(270-56-220-136-150(202)216-54-218-152(136)270)376-102(82)40-356-414(321,322)394-81-13-121(375-96(81)34-349-408(308,309)310)269-55-219-135-149(201)215-53-217-151(135)269/h27-32,53-68,75-134,283H,7-26,33-52H2,1-6H3,(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)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H2,201,215,217)(H2,202,216,218)(H,257,284,302)(H,258,285,303)(H,259,286,304)(H,260,287,305)(H,261,288,306)(H,262,289,307)(H2,308,309,310)(H3,203,233,245,290)(H3,204,234,246,291)(H3,205,235,247,292)(H3,206,236,248,293)(H3,207,237,249,294)(H3,208,238,250,295)(H3,209,239,251,296)(H3,210,240,252,297)(H3,211,241,253,298)(H3,212,242,254,299)(H3,213,243,255,300)(H3,214,244,256,301)
- InChIKey
- AWMIQTGBZHMIBB-UHFFFAOYSA-N
- Compound name
- [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-[[[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-[[[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-[[[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-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)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]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]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]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-[hydroxy-[[3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6418.0393 | 311.5 |
[M+Na]+ | 6440.0212 | 311.5 |
[M-H]- | 6416.0247 | 311.5 |
[M+NH4]+ | 6435.0658 | 311.5 |
[M+K]+ | 6455.9952 | 311.5 |
[M+H-H2O]+ | 6400.0293 | 311.5 |
[M+HCOO]- | 6462.0302 | 311.5 |
[M+CH3COO]- | 6476.0459 | 311.5 |
[M+Na-2H]- | 6438.0067 | 311.5 |
[M]+ | 6417.0315 | 311.5 |
[M]- | 6417.0325 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.