CID 16186151
18-mer oligonucleotide 5'-d(gggtgggtgggtgggtgg)-3'
Structural Information
- Molecular Formula
- C180H221N78O110P17
- 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(OC1CO)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)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/C180H221N78O110P17/c1-59-23-241(177(279)237-145(59)261)100-7-65(353-371(287,288)323-34-88-69(11-105(341-88)247-47-197-119-133(247)211-165(183)225-151(119)267)357-369(283,284)317-28-82-63(260)5-99(335-82)245-45-195-117-131(245)209-163(181)223-149(117)265)83(336-100)29-319-375(295,296)359-72-14-108(250-50-200-122-136(250)214-168(186)228-154(122)270)346-93(72)39-328-383(311,312)366-78-20-114(256-56-206-128-142(256)220-174(192)234-160(128)276)349-96(78)42-331-380(305,306)364-76-18-112(254-54-204-126-140(254)218-172(190)232-158(126)274)343-90(76)36-325-373(291,292)355-67-9-102(243-25-61(3)147(263)239-179(243)281)338-85(67)31-321-377(299,300)361-74-16-110(252-52-202-124-138(252)216-170(188)230-156(124)272)348-95(74)41-330-385(315,316)368-80-22-116(258-58-208-130-144(258)222-176(194)236-162(130)278)351-98(80)44-333-382(309,310)365-77-19-113(255-55-205-127-141(255)219-173(191)233-159(127)275)344-91(77)37-326-374(293,294)356-68-10-103(244-26-62(4)148(264)240-180(244)282)339-86(68)32-322-378(301,302)360-73-15-109(251-51-201-123-137(251)215-169(187)229-155(123)271)347-94(73)40-329-384(313,314)367-79-21-115(257-57-207-129-143(257)221-175(193)235-161(129)277)350-97(79)43-332-381(307,308)363-75-17-111(253-53-203-125-139(253)217-171(189)231-157(125)273)342-89(75)35-324-372(289,290)354-66-8-101(242-24-60(2)146(262)238-178(242)280)337-84(66)30-320-376(297,298)358-71-13-107(249-49-199-121-135(249)213-167(185)227-153(121)269)345-92(71)38-327-379(303,304)362-70-12-106(248-48-198-120-134(248)212-166(184)226-152(120)268)340-87(70)33-318-370(285,286)352-64-6-104(334-81(64)27-259)246-46-196-118-132(246)210-164(182)224-150(118)266/h23-26,45-58,63-116,259-260H,5-22,27-44H2,1-4H3,(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,237,261,279)(H,238,262,280)(H,239,263,281)(H,240,264,282)(H3,181,209,223,265)(H3,182,210,224,266)(H3,183,211,225,267)(H3,184,212,226,268)(H3,185,213,227,269)(H3,186,214,228,270)(H3,187,215,229,271)(H3,188,216,230,272)(H3,189,217,231,273)(H3,190,218,232,274)(H3,191,219,233,275)(H3,192,220,234,276)(H3,193,221,235,277)(H3,194,222,236,278)
- InChIKey
- CPGNNPLFQOOASY-UHFFFAOYSA-N
- Compound name
- [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-[[[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-(hydroxymethyl)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]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5761.9713 | 311.5 |
[M+Na]+ | 5783.9532 | 311.5 |
[M-H]- | 5759.9567 | 311.5 |
[M+NH4]+ | 5778.9978 | 311.5 |
[M+K]+ | 5799.9272 | 311.5 |
[M+H-H2O]+ | 5743.9613 | 311.5 |
[M+HCOO]- | 5805.9622 | 311.5 |
[M+CH3COO]- | 5819.9779 | 311.5 |
[M+Na-2H]- | 5781.9387 | 311.5 |
[M]+ | 5760.9635 | 311.5 |
[M]- | 5760.9645 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.