CID 16130794

T g t t a c g t t t g g t t t t t c t t (2'-o-methyl)

Structural Information

Molecular Formula
C218H295N57O153P20
SMILES
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3OC)N4C=C(C(=O)NC4=O)C)COP(=O)(O)OC5C(OC(C5OC)N6C=CC(=NC6=O)N)COP(=O)(O)OC7C(OC(C7OC)N8C=C(C(=O)NC8=O)C)COP(=O)(O)OC9C(OC(C9OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)O)O)OC
InChI
InChI=1S/C218H295N57O153P20/c1-77-38-258(206(296)243-163(77)277)180-137(350-14)117(276)90(390-180)51-371-430(312,313)413-121-94(394-184(141(121)354-18)260-40-79(3)165(279)245-208(260)298)55-374-432(316,317)411-119-92(391-181(138(119)351-15)256-36-34-110(219)233-204(256)294)53-372-434(320,321)414-122-95(395-185(142(122)355-19)261-41-80(4)166(280)246-209(261)299)56-375-435(322,323)415-123-96(396-186(143(123)356-20)262-42-81(5)167(281)247-210(262)300)57-376-436(324,325)416-124-97(397-187(144(124)357-21)263-43-82(6)168(282)248-211(263)301)58-377-437(326,327)417-125-98(398-188(145(125)358-22)264-44-83(7)169(283)249-212(264)302)59-378-440(332,333)420-128-104(404-191(148(128)361-25)267-47-86(10)172(286)252-215(267)305)65-384-447(346,347)427-135-109(409-198(155(135)368-32)274-75-231-115-161(274)237-202(224)241-178(115)292)70-389-448(348,349)428-136-108(408-199(156(136)369-33)275-76-232-116-162(275)238-203(225)242-179(116)293)69-388-443(338,339)423-131-101(401-194(151(131)364-28)270-50-89(13)175(289)255-218(270)308)62-381-438(328,329)418-126-99(399-189(146(126)359-23)265-45-84(8)170(284)250-213(265)303)60-379-439(330,331)419-127-103(403-190(147(127)360-24)266-46-85(9)171(285)251-214(266)304)64-383-446(344,345)426-134-107(407-197(154(134)367-31)273-74-230-114-160(273)236-201(223)240-177(114)291)68-387-433(318,319)412-120-93(392-182(139(120)352-16)257-37-35-111(220)234-205(257)295)54-373-444(340,341)424-132-105(405-195(152(132)365-29)271-72-228-112-157(221)226-71-227-158(112)271)66-385-442(336,337)422-130-100(400-193(150(130)363-27)269-49-88(12)174(288)254-217(269)307)61-380-441(334,335)421-129-102(402-192(149(129)362-26)268-48-87(11)173(287)253-216(268)306)63-382-445(342,343)425-133-106(406-196(153(133)366-30)272-73-229-113-159(272)235-200(222)239-176(113)290)67-386-431(314,315)410-118-91(52-370-429(309,310)311)393-183(140(118)353-17)259-39-78(2)164(278)244-207(259)297/h34-50,71-76,90-109,117-156,180-199,276H,51-70H2,1-33H3,(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)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H2,219,233,294)(H2,220,234,295)(H2,221,226,227)(H,243,277,296)(H,244,278,297)(H,245,279,298)(H,246,280,299)(H,247,281,300)(H,248,282,301)(H,249,283,302)(H,250,284,303)(H,251,285,304)(H,252,286,305)(H,253,287,306)(H,254,288,307)(H,255,289,308)(H2,309,310,311)(H3,222,235,239,290)(H3,223,236,240,291)(H3,224,237,241,292)(H3,225,238,242,293)
InChIKey
FZKLPGIZWQETGM-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy-[[3-[hydroxy-[[3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methyl [4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6778.1807 Da
Monoisotopic Mass

-46.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6779.1880 311.5
[M+Na]+ 6801.1699 311.5
[M-H]- 6777.1734 311.5
[M+NH4]+ 6796.2145 311.5
[M+K]+ 6817.1439 311.5
[M+H-H2O]+ 6761.1780 311.5
[M+HCOO]- 6823.1789 311.5
[M+CH3COO]- 6837.1946 311.5
[M+Na-2H]- 6799.1554 311.5
[M]+ 6778.1802 311.5
[M]- 6778.1812 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.