CID 16130783

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

Structural Information

Molecular Formula
C215H288N72O145P20
SMILES
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3OC)N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(OC(C5OC)N6C=C(C(=O)NC6=O)C)COP(=O)(O)OC7C(OC(C7OC)N8C=NC9=C8N=C(NC9=O)N)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=CC(=NC1=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=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=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=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=NC2=C1N=C(NC2=O)N)COP(=O)(O)O)O)OC
InChI
InChI=1S/C215H288N72O145P20/c1-74-37-273(210(307)262-165(74)289)178-134(354-7)114(288)80(394-178)43-375-434(316,317)415-116-82(395-179(135(116)355-8)268-32-27-100(216)243-205(268)302)45-376-440(328,329)421-122-90(403-185(141(122)361-14)275-39-76(3)167(291)264-212(275)309)53-384-449(346,347)429-130-98(412-194(150(130)370-23)284-70-239-110-161(284)251-201(226)258-174(110)298)61-392-451(350,351)431-132-94(408-196(152(132)372-25)286-72-241-112-163(286)253-203(228)260-176(112)300)57-388-439(326,327)419-120-84(397-183(139(120)359-12)272-36-31-104(220)247-209(272)306)47-378-445(338,339)425-126-92(406-189(145(126)365-18)279-65-234-105-154(221)230-63-232-156(105)279)55-386-438(324,325)418-119-86(399-182(138(119)358-11)271-35-30-103(219)246-208(271)305)49-380-447(342,343)428-129-96(410-193(149(129)369-22)283-69-238-109-160(283)250-200(225)257-173(109)297)59-390-443(334,335)424-125-91(404-188(144(125)364-17)278-42-79(6)170(294)267-215(278)312)54-385-450(348,349)430-131-99(413-195(151(131)371-24)285-71-240-111-162(285)252-202(227)259-175(111)299)62-393-452(352,353)432-133-97(411-197(153(133)373-26)287-73-242-113-164(287)254-204(229)261-177(113)301)60-391-444(336,337)423-124-89(402-187(143(124)363-16)277-41-78(5)169(293)266-214(277)311)52-383-448(344,345)426-127-93(407-190(146(127)366-19)280-66-235-106-155(222)231-64-233-157(106)280)56-387-437(322,323)417-118-83(396-181(137(118)357-10)270-34-29-102(218)245-207(270)304)46-377-441(330,331)420-121-88(401-184(140(121)360-13)274-38-75(2)166(290)263-211(274)308)51-382-436(320,321)416-117-85(398-180(136(117)356-9)269-33-28-101(217)244-206(269)303)48-379-446(340,341)427-128-95(409-192(148(128)368-21)282-68-237-108-159(282)249-199(224)256-172(108)296)58-389-442(332,333)422-123-87(400-186(142(123)362-15)276-40-77(4)168(292)265-213(276)310)50-381-435(318,319)414-115-81(44-374-433(313,314)315)405-191(147(115)367-20)281-67-236-107-158(281)248-198(223)255-171(107)295/h27-42,63-73,80-99,114-153,178-197,288H,43-62H2,1-26H3,(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)(H,350,351)(H,352,353)(H2,216,243,302)(H2,217,244,303)(H2,218,245,304)(H2,219,246,305)(H2,220,247,306)(H2,221,230,232)(H2,222,231,233)(H,262,289,307)(H,263,290,308)(H,264,291,309)(H,265,292,310)(H,266,293,311)(H,267,294,312)(H2,313,314,315)(H3,223,248,255,295)(H3,224,249,256,296)(H3,225,250,257,297)(H3,226,251,258,298)(H3,227,252,259,299)(H3,228,253,260,300)(H3,229,254,261,301)
InChIKey
RMXDPLPJTOWYSY-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[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-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy-[[3-hydroxy-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]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6817.213 Da
Monoisotopic Mass

-51.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6818.2203 311.5
[M+Na]+ 6840.2022 311.5
[M-H]- 6816.2057 311.5
[M+NH4]+ 6835.2468 311.5
[M+K]+ 6856.1762 311.5
[M+H-H2O]+ 6800.2103 311.5
[M+HCOO]- 6862.2112 311.5
[M+CH3COO]- 6876.2269 311.5
[M+Na-2H]- 6838.1877 311.5
[M]+ 6817.2125 311.5
[M]- 6817.2135 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.