CID 16197459
Control oligo anti -fos
Structural Information
- Molecular Formula
- C198H254N80O116P20
- 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)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(NCC(C)N)O)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=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=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C198H254N80O116P20/c1-80-37-264(195(292)255-180(80)280)130-16-85(279)105(356-130)41-337-396(298,299)384-94-25-139(268-69-232-150-161(205)216-61-224-169(150)268)365-114(94)50-345-399(304,305)378-89-20-134(262-14-9-128(203)247-193(262)290)359-109(89)45-340-403(312,313)382-92-23-137(266-39-82(3)182(282)257-197(266)294)364-113(92)49-344-407(320,321)387-97-28-142(271-72-235-153-164(208)219-64-227-172(153)271)366-115(97)51-346-400(306,307)379-90-21-135(263-15-10-129(204)248-194(263)291)361-111(90)47-342-406(318,319)386-96-27-141(270-71-234-152-163(207)218-63-226-171(152)270)368-117(96)53-348-409(324,325)389-99-30-144(273-74-237-155-166(210)221-66-229-174(155)273)371-120(99)56-351-414(334,335)394-104-35-149(278-79-242-160-179(278)251-189(215)254-186(160)286)375-124(104)60-355-411(328,329)391-101-32-146(275-76-239-157-168(212)223-68-231-176(157)275)372-121(101)57-352-412(330,331)392-102-33-147(276-77-240-158-177(276)249-187(213)252-184(158)284)373-122(102)58-353-401(308,309)380-88-19-133(261-13-8-127(202)246-192(261)289)358-108(88)44-339-397(300,301)376-86-17-131(259-11-6-125(200)244-190(259)287)357-107(86)43-338-398(302,303)377-87-18-132(260-12-7-126(201)245-191(260)288)360-110(87)46-341-405(316,317)385-95-26-140(269-70-233-151-162(206)217-62-225-170(151)269)367-116(95)52-347-408(322,323)388-98-29-143(272-73-236-154-165(209)220-65-228-173(154)272)369-118(98)54-349-410(326,327)390-100-31-145(274-75-238-156-167(211)222-67-230-175(156)274)370-119(100)55-350-413(332,333)393-103-34-148(277-78-241-159-178(277)250-188(214)253-185(159)285)374-123(103)59-354-404(314,315)383-93-24-138(267-40-83(4)183(283)258-198(267)295)363-112(93)48-343-402(310,311)381-91-22-136(265-38-81(2)181(281)256-196(265)293)362-106(91)42-336-395(296,297)243-36-84(5)199/h6-15,37-40,61-79,84-124,130-149,279H,16-36,41-60,199H2,1-5H3,(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H2,200,244,287)(H2,201,245,288)(H2,202,246,289)(H2,203,247,290)(H2,204,248,291)(H2,205,216,224)(H2,206,217,225)(H2,207,218,226)(H2,208,219,227)(H2,209,220,228)(H2,210,221,229)(H2,211,222,230)(H2,212,223,231)(H2,243,296,297)(H,255,280,292)(H,256,281,293)(H,257,282,294)(H,258,283,295)(H3,213,249,252,284)(H3,214,250,253,285)(H3,215,251,254,286)
- InChIKey
- ORNYJGNUBRSCKE-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-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]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-(2-aminopropyl)phosphonamidic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6228.1260 | 311.5 |
[M+Na]+ | 6250.1079 | 311.5 |
[M-H]- | 6226.1114 | 311.5 |
[M+NH4]+ | 6245.1525 | 311.5 |
[M+K]+ | 6266.0819 | 311.5 |
[M+H-H2O]+ | 6210.1160 | 311.5 |
[M+HCOO]- | 6272.1169 | 311.5 |
[M+CH3COO]- | 6286.1326 | 311.5 |
[M+Na-2H]- | 6248.0934 | 311.5 |
[M]+ | 6227.1182 | 311.5 |
[M]- | 6227.1192 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.