CID 16186517
5'-dmtr-gtctgggtggagggt-3'
Structural Information
- Molecular Formula
- C170H203N61O93P14
- SMILES
- CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)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=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=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)O
- InChI
- InChI=1S/C170H203N61O93P14/c1-67-37-218(166(247)213-143(67)233)107-22-76(232)91(296-107)42-282-325(251,252)316-83-29-114(224-59-186-124-135(224)196-157(174)205-148(124)238)303-98(83)48-291-334(269,270)322-89-35-120(230-65-192-130-141(230)202-163(180)211-154(130)244)309-104(89)54-295-338(277,278)323-88-34-119(229-64-191-129-140(229)201-162(179)210-153(129)243)306-101(88)51-290-332(265,266)317-82-28-112(222-57-184-122-132(172)182-56-183-133(122)222)302-97(82)47-287-333(267,268)319-87-33-118(228-63-190-128-139(228)200-161(178)209-152(128)242)308-103(87)53-293-335(271,272)320-86-32-117(227-62-189-127-138(227)199-160(177)208-151(127)241)305-100(86)50-289-330(261,262)315-81-26-111(221-40-70(4)146(236)216-169(221)250)301-96(81)46-286-331(263,264)318-84-30-115(225-60-187-125-136(225)197-158(175)206-149(125)239)307-102(84)52-292-337(275,276)324-90-36-121(231-66-193-131-142(231)203-164(181)212-155(131)245)310-105(90)55-294-336(273,274)321-85-31-116(226-61-188-126-137(226)198-159(176)207-150(126)240)304-99(85)49-288-329(259,260)314-80-25-110(220-39-69(3)145(235)215-168(220)249)300-95(80)45-285-327(255,256)312-78-23-108(217-21-20-106(171)194-165(217)246)298-93(78)43-283-328(257,258)313-79-24-109(219-38-68(2)144(234)214-167(219)248)299-94(79)44-284-326(253,254)311-77-27-113(223-58-185-123-134(223)195-156(173)204-147(123)237)297-92(77)41-281-170(71-10-8-7-9-11-71,72-12-16-74(279-5)17-13-72)73-14-18-75(280-6)19-15-73/h7-21,37-40,56-66,76-105,107-121,232H,22-36,41-55H2,1-6H3,(H,251,252)(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)(H2,171,194,246)(H2,172,182,183)(H,213,233,247)(H,214,234,248)(H,215,235,249)(H,216,236,250)(H3,173,195,204,237)(H3,174,196,205,238)(H3,175,197,206,239)(H3,176,198,207,240)(H3,177,199,208,241)(H3,178,200,209,242)(H3,179,201,210,243)(H3,180,202,211,244)(H3,181,203,212,245)/t76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+/m0/s1
- InChIKey
- AFMUHTKBWJMCIR-GASAJLINSA-N
- Compound name
- [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]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-(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]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-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]+ | 5020.9428 | 311.5 |
[M+Na]+ | 5042.9247 | 311.6 |
[M-H]- | 5018.9282 | 311.5 |
[M+NH4]+ | 5037.9693 | 311.5 |
[M+K]+ | 5058.8987 | 311.5 |
[M+H-H2O]+ | 5002.9328 | 311.5 |
[M+HCOO]- | 5064.9337 | 311.5 |
[M+CH3COO]- | 5078.9494 | 311.5 |
[M+Na-2H]- | 5040.9102 | 311.6 |
[M]+ | 5019.9350 | 311.6 |
[M]- | 5019.9360 | 311.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.