CID 16130803

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

Structural Information

Molecular Formula
C218H290N72O146P20
SMILES
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3OC)N4C=NC5=C4N=C(NC5=O)N)COP(=O)(O)O)OP(=O)(O)OCC6C(C(C(O6)N7C=NC8=C7N=C(NC8=O)N)OC)OP(=O)(O)OCC9C(C(C(O9)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)O)OC
InChI
InChI=1S/C218H290N72O146P20/c1-74-33-273(211(309)263-167(74)292)184-136(360-11)117(420-441(326,327)384-47-88-121(140(364-15)188(403-88)277-37-78(5)171(296)267-215(277)313)425-446(336,337)393-56-97-130(150(374-25)198(413-97)287-70-243-110-163(287)252-205(227)259-178(110)303)433-453(350,351)390-52-93-125(144(368-19)192(409-93)281-64-237-104-154(221)231-61-234-157(104)281)428-438(320,321)379-41-82-114(291)134(358-9)182(398-82)271-31-29-102(219)247-209(271)307)86(401-184)45-382-440(324,325)419-116-84(399-183(135(116)359-10)272-32-30-103(220)248-210(272)308)43-380-449(342,343)431-128-96(412-196(148(128)372-23)285-68-241-108-161(285)250-203(225)257-176(108)301)55-392-448(340,341)427-124-92(407-191(143(124)367-18)280-40-81(8)174(299)270-218(280)316)51-388-452(348,349)432-129-100(416-197(149(129)373-24)286-69-242-109-162(286)251-204(226)258-177(109)302)59-396-455(354,355)435-131-99(415-199(151(131)375-26)288-71-244-111-164(288)253-206(228)260-179(111)304)58-395-447(338,339)426-122-89(404-189(141(122)365-16)278-38-79(6)172(297)268-216(278)314)48-385-442(328,329)421-118-87(402-185(137(118)361-12)274-34-75(2)168(293)264-212(274)310)46-383-443(330,331)422-119-90(405-186(138(119)362-13)275-35-76(3)169(294)265-213(275)311)49-386-450(344,345)429-126-94(410-193(145(126)369-20)282-65-238-105-155(222)232-62-235-158(105)282)53-389-444(332,333)423-123-91(406-190(142(123)366-17)279-39-80(7)173(298)269-217(279)315)50-387-451(346,347)430-127-95(411-194(146(127)370-21)283-66-239-106-156(223)233-63-236-159(106)283)54-391-454(352,353)434-133-101(417-201(153(133)377-28)290-73-246-113-166(290)255-208(230)262-181(113)306)60-397-456(356,357)436-132-98(414-200(152(132)376-27)289-72-245-112-165(289)254-207(229)261-180(112)305)57-394-445(334,335)424-120-85(400-187(139(120)363-14)276-36-77(4)170(295)266-214(276)312)44-381-439(322,323)418-115-83(42-378-437(317,318)319)408-195(147(115)371-22)284-67-240-107-160(284)249-202(224)256-175(107)300/h29-40,61-73,82-101,114-153,182-201,291H,41-60H2,1-28H3,(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)(H,354,355)(H,356,357)(H2,219,247,307)(H2,220,248,308)(H2,221,231,234)(H2,222,232,235)(H2,223,233,236)(H,263,292,309)(H,264,293,310)(H,265,294,311)(H,266,295,312)(H,267,296,313)(H,268,297,314)(H,269,298,315)(H,270,299,316)(H2,317,318,319)(H3,224,249,256,300)(H3,225,250,257,301)(H3,226,251,258,302)(H3,227,252,259,303)(H3,228,253,260,304)(H3,229,254,261,305)(H3,230,255,262,306)
InChIKey
OGTTWTSQPHSKMY-UHFFFAOYSA-N
Compound name
[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-[[[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)-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]-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]-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-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)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]-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]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)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] [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6871.223 Da
Monoisotopic Mass

-48.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6872.2303 311.5
[M+Na]+ 6894.2122 311.5
[M-H]- 6870.2157 311.5
[M+NH4]+ 6889.2568 311.5
[M+K]+ 6910.1862 311.5
[M+H-H2O]+ 6854.2203 311.5
[M+HCOO]- 6916.2212 311.5
[M+CH3COO]- 6930.2369 311.5
[M+Na-2H]- 6892.1977 311.5
[M]+ 6871.2225 311.5
[M]- 6871.2235 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.