CID 16186435
Ggggacaggggcggggtggg
Structural Information
- Molecular Formula
- C198H243N93O120P20
- 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)O)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=C(N=CN=C21)N)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=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=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)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=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C198H243N93O120P20/c1-66-26-274(198(311)271-165(66)293)112-9-70(395-416(321,322)361-36-96-78(17-120(382-96)283-57-230-137-156(283)247-187(209)262-172(137)300)404-423(335,336)364-34-94-74(13-116(380-94)279-53-226-133-152(279)243-183(205)258-168(133)296)397-413(315,316)354-27-87-67(292)6-109(373-87)277-51-224-131-150(277)241-181(203)256-166(131)294)91(376-112)31-357-420(329,330)401-76-15-118(281-55-228-135-154(281)245-185(207)260-170(135)298)386-100(76)40-366-427(343,344)408-83-22-125(288-62-235-142-161(288)252-192(214)267-177(142)305)392-106(83)46-372-430(349,350)410-84-23-126(289-63-236-143-162(289)253-193(215)268-178(143)306)388-102(84)42-368-424(337,338)403-77-16-119(282-56-229-136-155(282)246-186(208)261-171(136)299)381-95(77)35-360-415(319,320)394-69-8-111(273-5-3-108(200)240-197(273)310)375-90(69)30-356-419(327,328)400-75-14-117(280-54-227-134-153(280)244-184(206)259-169(134)297)385-99(75)39-365-426(341,342)407-82-21-124(287-61-234-141-160(287)251-191(213)266-176(141)304)391-105(82)45-371-431(351,352)411-86-25-128(291-65-238-145-164(291)255-195(217)270-180(145)308)390-104(86)44-370-428(345,346)406-81-20-123(286-60-233-140-159(286)250-190(212)265-175(140)303)384-98(81)38-363-421(331,332)399-73-11-114(276-50-223-130-147(202)219-48-221-149(130)276)378-92(73)32-358-414(317,318)393-68-7-110(272-4-2-107(199)239-196(272)309)374-89(68)29-355-418(325,326)398-72-10-113(275-49-222-129-146(201)218-47-220-148(129)275)379-93(72)33-359-422(333,334)402-80-19-122(285-59-232-139-158(285)249-189(211)264-174(139)302)387-101(80)41-367-429(347,348)409-85-24-127(290-64-237-144-163(290)254-194(216)269-179(144)307)389-103(85)43-369-425(339,340)405-79-18-121(284-58-231-138-157(284)248-188(210)263-173(138)301)383-97(79)37-362-417(323,324)396-71-12-115(377-88(71)28-353-412(312,313)314)278-52-225-132-151(278)242-182(204)257-167(132)295/h2-5,26,47-65,67-106,109-128,292H,6-25,27-46H2,1H3,(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)(H,349,350)(H,351,352)(H2,199,239,309)(H2,200,240,310)(H2,201,218,220)(H2,202,219,221)(H,271,293,311)(H2,312,313,314)(H3,203,241,256,294)(H3,204,242,257,295)(H3,205,243,258,296)(H3,206,244,259,297)(H3,207,245,260,298)(H3,208,246,261,299)(H3,209,247,262,300)(H3,210,248,263,301)(H3,211,249,264,302)(H3,212,250,265,303)(H3,213,251,266,304)(H3,214,252,267,305)(H3,215,253,268,306)(H3,216,254,269,307)(H3,217,255,270,308)
- InChIKey
- JOIYUVDWEYERTG-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-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]oxyoxolan-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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-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-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6463.0595 | 311.5 |
[M+Na]+ | 6485.0414 | 311.5 |
[M-H]- | 6461.0449 | 311.5 |
[M+NH4]+ | 6480.0860 | 311.5 |
[M+K]+ | 6501.0154 | 311.5 |
[M+H-H2O]+ | 6445.0495 | 311.5 |
[M+HCOO]- | 6507.0504 | 311.5 |
[M+CH3COO]- | 6521.0661 | 311.5 |
[M+Na-2H]- | 6483.0269 | 311.5 |
[M]+ | 6462.0517 | 311.5 |
[M]- | 6462.0527 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.