CID 16130817
G*g-g-t-g*g-g-t-g*g-g-t-g*g-g-t
Structural Information
- Molecular Formula
- C160H198N68O97P16S4
- 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(=S)(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(=S)(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/C160H198N68O97P16S4/c1-53-21-213(157(246)209-129(53)230)89-5-57(229)73(295-89)25-280-327(253,254)314-61-9-93(217-41-173-105-117(217)185-145(161)197-133(105)234)300-78(61)30-284-331(261,262)319-66-14-98(222-46-178-110-122(222)190-150(166)202-138(110)239)308-86(66)38-292-339(276,343)323-70-18-102(226-50-182-114-126(226)194-154(170)206-142(114)243)304-82(70)34-288-335(269,270)312-59-7-91(215-23-55(3)131(232)211-159(215)248)297-76(59)28-282-329(257,258)316-63-11-95(219-43-175-107-119(219)187-147(163)199-135(107)236)302-80(63)32-286-333(265,266)321-68-16-100(224-48-180-112-124(224)192-152(168)204-140(112)241)310-88(68)40-294-341(278,345)325-72-20-104(228-52-184-116-128(228)196-156(172)208-144(116)245)306-84(72)36-290-337(273,274)313-60-8-92(216-24-56(4)132(233)212-160(216)249)298-77(60)29-283-330(259,260)317-64-12-96(220-44-176-108-120(220)188-148(164)200-136(108)237)303-81(64)33-287-334(267,268)320-67-15-99(223-47-179-111-123(223)191-151(167)203-139(111)240)309-87(67)39-293-340(277,344)324-71-19-103(227-51-183-115-127(227)195-155(171)207-143(115)244)305-83(71)35-289-336(271,272)311-58-6-90(214-22-54(2)130(231)210-158(214)247)296-75(58)27-281-328(255,256)315-62-10-94(218-42-174-106-118(218)186-146(162)198-134(106)235)301-79(62)31-285-332(263,264)318-65-13-97(221-45-177-109-121(221)189-149(165)201-137(109)238)307-85(65)37-291-338(275,342)322-69-17-101(299-74(69)26-279-326(250,251)252)225-49-181-113-125(225)193-153(169)205-141(113)242/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,275,342)(H,276,343)(H,277,344)(H,278,345)(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
- CIWZUNKUWHYEQB-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-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-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-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-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]+ | 5247.7407 | 311.5 |
[M+Na]+ | 5269.7226 | 311.5 |
[M-H]- | 5245.7261 | 311.5 |
[M+NH4]+ | 5264.7672 | 311.5 |
[M+K]+ | 5285.6966 | 311.5 |
[M+H-H2O]+ | 5229.7307 | 311.5 |
[M+HCOO]- | 5291.7316 | 311.5 |
[M+CH3COO]- | 5305.7473 | 311.5 |
[M+Na-2H]- | 5267.7081 | 311.5 |
[M]+ | 5246.7329 | 311.5 |
[M]- | 5246.7339 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.