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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

6227.1187 Da
Monoisotopic Mass

-41.4
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.