CID 16130776

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

Structural Information

Molecular Formula
C216H287N77O143P20
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=NC7=C6N=C(NC7=O)N)COP(=O)(O)OC8C(OC(C8OC)N9C=NC1=C9N=C(NC1=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=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)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=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=NC2=C1N=C(NC2=O)N)COP(=O)(O)O)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=C(C(=O)NC1=O)C)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)O)OC
InChI
InChI=1S/C216H287N77O143P20/c1-73-34-278(212(312)269-167(73)295)184-137(362-10)118(422-442(328,329)380-41-80-115(134(359-7)181(399-80)275-31-27-99(218)250-209(275)309)419-438(320,321)379-39-78-113(294)133(358-6)180(398-78)274-30-26-98(217)249-208(274)308)85(404-184)46-385-450(344,345)428-124-89(409-190(143(124)368-16)284-63-239-103-154(222)233-60-236-157(103)284)50-389-453(350,351)433-130-93(413-197(150(130)375-23)291-70-246-110-164(291)258-205(229)266-177(110)305)54-393-445(334,335)426-122-84(403-188(141(122)366-14)282-38-77(5)171(299)273-216(282)316)45-384-444(332,333)424-120-87(406-186(139(120)364-12)280-36-75(3)169(297)271-214(280)314)48-387-451(346,347)432-128-96(416-195(148(128)373-21)289-68-244-108-162(289)256-203(227)264-175(108)303)57-396-456(356,357)436-132-97(417-199(152(132)377-25)293-72-248-112-166(293)260-207(231)268-179(112)307)58-397-455(354,355)435-129-92(412-196(149(129)374-22)290-69-245-109-163(290)257-204(228)265-176(109)304)53-392-441(326,327)421-117-82(401-183(136(117)361-9)277-33-29-101(220)252-211(277)311)43-382-448(340,341)431-127-95(415-194(147(127)372-20)288-67-243-107-161(288)255-202(226)263-174(107)302)56-395-452(348,349)429-125-90(410-191(144(125)369-17)285-64-240-104-155(223)234-61-237-158(104)285)51-390-454(352,353)434-131-94(414-198(151(131)376-24)292-71-247-111-165(292)259-206(230)267-178(111)306)55-394-446(336,337)425-121-83(402-187(140(121)365-13)281-37-76(4)170(298)272-215(281)315)44-383-443(330,331)423-119-86(405-185(138(119)363-11)279-35-74(2)168(296)270-213(279)313)47-386-449(342,343)427-123-88(408-189(142(123)367-15)283-62-238-102-153(221)232-59-235-156(102)283)49-388-440(324,325)420-116-81(400-182(135(116)360-8)276-32-28-100(219)251-210(276)310)42-381-447(338,339)430-126-91(411-193(146(126)371-19)287-66-242-106-160(287)254-201(225)262-173(106)301)52-391-439(322,323)418-114-79(40-378-437(317,318)319)407-192(145(114)370-18)286-65-241-105-159(286)253-200(224)261-172(105)300/h26-38,59-72,78-97,113-152,180-199,294H,39-58H2,1-25H3,(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)(H2,217,249,308)(H2,218,250,309)(H2,219,251,310)(H2,220,252,311)(H2,221,232,235)(H2,222,233,236)(H2,223,234,237)(H,269,295,312)(H,270,296,313)(H,271,297,314)(H,272,298,315)(H,273,299,316)(H2,317,318,319)(H3,224,253,261,300)(H3,225,254,262,301)(H3,226,255,263,302)(H3,227,256,264,303)(H3,228,257,265,304)(H3,229,258,266,305)(H3,230,259,267,306)(H3,231,260,268,307)
InChIKey
AWGMLALAOCETEW-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-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)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxy-2-(phosphonooxymethyl)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]-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]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-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-methoxyoxolan-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-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-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-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

6866.2305 Da
Monoisotopic Mass

-51.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6867.2378 311.5
[M+Na]+ 6889.2197 311.5
[M-H]- 6865.2232 311.5
[M+NH4]+ 6884.2643 311.5
[M+K]+ 6905.1937 311.5
[M+H-H2O]+ 6849.2278 311.5
[M+HCOO]- 6911.2287 311.5
[M+CH3COO]- 6925.2444 311.5
[M+Na-2H]- 6887.2052 311.5
[M]+ 6866.2300 311.5
[M]- 6866.2310 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.