CID 16130815
G-g-g-t-g*g-g-t-g-g-g-t-g*g-g-t
Structural Information
- Molecular Formula
- C160H198N68O99P16S2
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=S)(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(=S)(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=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)O
- InChI
- InChI=1S/C160H198N68O99P16S2/c1-53-21-213(157(246)209-129(53)230)89-5-57(229)73(297-89)25-282-329(253,254)317-62-10-94(218-42-174-106-118(218)186-146(162)198-134(106)235)302-78(62)30-291-338(271,272)324-69-17-101(225-49-181-113-125(225)193-153(169)205-141(113)242)311-87(69)39-295-342(279,344)326-71-19-103(227-51-183-115-127(227)195-155(171)207-143(115)244)309-85(71)37-293-340(275,276)315-60-8-92(216-24-56(4)132(233)212-160(216)249)300-77(60)29-285-334(263,264)319-64-12-96(220-44-176-108-120(220)188-148(164)200-136(108)237)306-82(64)34-289-337(269,270)323-68-16-100(224-48-180-112-124(224)192-152(168)204-140(112)241)307-83(68)35-290-335(265,266)321-66-14-98(222-46-178-110-122(222)190-150(166)202-138(110)239)303-79(66)31-286-330(255,256)313-58-6-90(214-22-54(2)130(231)210-158(214)247)298-75(58)27-283-332(259,260)320-65-13-97(221-45-177-109-121(221)189-149(165)201-137(109)238)308-84(65)36-292-339(273,274)325-70-18-102(226-50-182-114-126(226)194-154(170)206-142(114)243)312-88(70)40-296-343(280,345)327-72-20-104(228-52-184-116-128(228)196-156(172)208-144(116)245)310-86(72)38-294-341(277,278)314-59-7-91(215-23-55(3)131(232)211-159(215)248)299-76(59)28-284-333(261,262)318-63-11-95(219-43-175-107-119(219)187-147(163)199-135(107)236)305-81(63)33-288-336(267,268)322-67-15-99(223-47-179-111-123(223)191-151(167)203-139(111)240)304-80(67)32-287-331(257,258)316-61-9-93(301-74(61)26-281-328(250,251)252)217-41-173-105-117(217)185-145(161)197-133(105)234/h21-24,41-52,57-104,229H,5-20,25-40H2,1-4H3,(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,344)(H,280,345)(H,209,230,246)(H,210,231,247)(H,211,232,248)(H,212,233,249)(H2,250,251,252)(H3,161,185,197,234)(H3,162,186,198,235)(H3,163,187,199,236)(H3,164,188,200,237)(H3,165,189,201,238)(H3,166,190,202,239)(H3,167,191,203,240)(H3,168,192,204,241)(H3,169,193,205,242)(H3,170,194,206,243)(H3,171,195,207,244)(H3,172,196,208,245)
- InChIKey
- SDEUARVKLNAJHB-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-(phosphonooxymethyl)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-hydroxyphosphinothioyl]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-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-hydroxy-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]+ | 5215.7866 | 311.5 |
[M+Na]+ | 5237.7685 | 311.5 |
[M-H]- | 5213.7720 | 311.5 |
[M+NH4]+ | 5232.8131 | 311.5 |
[M+K]+ | 5253.7425 | 311.5 |
[M+H-H2O]+ | 5197.7766 | 311.5 |
[M+HCOO]- | 5259.7775 | 311.5 |
[M+CH3COO]- | 5273.7932 | 311.5 |
[M+Na-2H]- | 5235.7540 | 311.5 |
[M]+ | 5214.7788 | 311.5 |
[M]- | 5214.7798 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.