CID 16130781
C a t g g t g c a c g g t c t a c g a g (2'-o-methyl)
Structural Information
- Molecular Formula
- C215H286N78O141P20
- 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)O)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)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=NC2=C1N=C(NC2=O)N)OC)O)OC
- InChI
- InChI=1S/C215H286N78O141P20/c1-74-35-279(212(311)270-169(74)295)186-140(362-11)120(421-442(330,331)378-41-80-116(136(358-7)182(398-80)275-31-26-99(217)252-208(275)307)417-438(322,323)382-45-84-121(141(363-12)187(402-84)280-36-75(2)170(296)271-213(280)312)422-443(332,333)388-52-91-126(146(368-17)192(409-91)285-65-242-105-156(223)234-61-238-160(105)285)427-447(340,341)380-43-82-119(139(361-10)185(400-82)278-34-29-102(220)255-211(278)310)419-440(326,327)390-53-92-131(151(373-22)197(410-92)291-71-248-111-166(291)260-204(229)267-177(111)303)432-452(350,351)389-49-88-124(144(366-15)190(406-88)283-63-240-103-154(221)232-59-236-158(103)283)425-436(318,319)377-39-78-114(294)134(356-5)180(396-78)287-67-244-107-162(287)256-200(225)263-173(107)299)86(404-186)47-384-450(346,347)430-129-96(414-195(149(129)371-20)289-69-246-109-164(289)258-202(227)265-175(109)301)57-394-453(352,353)433-132-93(411-198(152(132)374-23)292-72-249-112-167(292)261-205(230)268-178(112)304)54-391-441(328,329)420-118-81(399-184(138(118)360-9)277-33-28-101(219)254-210(277)309)42-379-446(338,339)426-125-90(408-191(145(125)367-16)284-64-241-104-155(222)233-60-237-159(104)284)51-387-439(324,325)418-117-83(401-183(137(117)359-8)276-32-27-100(218)253-209(276)308)44-381-448(342,343)429-128-94(412-194(148(128)370-19)288-68-245-108-163(288)257-201(226)264-174(108)300)55-392-444(334,335)424-123-87(405-189(143(123)365-14)282-38-77(4)172(298)273-215(282)314)48-385-451(348,349)431-130-97(415-196(150(130)372-21)290-70-247-110-165(290)259-203(228)266-176(110)302)58-395-454(354,355)434-133-95(413-199(153(133)375-24)293-73-250-113-168(293)262-206(231)269-179(113)305)56-393-445(336,337)423-122-85(403-188(142(122)364-13)281-37-76(3)171(297)272-214(281)313)46-383-449(344,345)428-127-89(407-193(147(127)369-18)286-66-243-106-157(224)235-62-239-161(106)286)50-386-437(320,321)416-115-79(40-376-435(315,316)317)397-181(135(115)357-6)274-30-25-98(216)251-207(274)306/h25-38,59-73,78-97,114-153,180-199,294H,39-58H2,1-24H3,(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)(H,354,355)(H2,216,251,306)(H2,217,252,307)(H2,218,253,308)(H2,219,254,309)(H2,220,255,310)(H2,221,232,236)(H2,222,233,237)(H2,223,234,238)(H2,224,235,239)(H,270,295,311)(H,271,296,312)(H,272,297,313)(H,273,298,314)(H2,315,316,317)(H3,225,256,263,299)(H3,226,257,264,300)(H3,227,258,265,301)(H3,228,259,266,302)(H3,229,260,267,303)(H3,230,261,268,304)(H3,231,262,269,305)
- InChIKey
- YUGYIYDNJGBPGL-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-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-5-(4-amino-2-oxopyrimidin-1-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-methoxyoxolan-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-5-(4-amino-2-oxopyrimidin-1-yl)-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-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 [5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6836.2433 | 311.5 |
[M+Na]+ | 6858.2252 | 311.5 |
[M-H]- | 6834.2287 | 311.5 |
[M+NH4]+ | 6853.2698 | 311.5 |
[M+K]+ | 6874.1992 | 311.5 |
[M+H-H2O]+ | 6818.2333 | 311.5 |
[M+HCOO]- | 6880.2342 | 311.5 |
[M+CH3COO]- | 6894.2499 | 311.5 |
[M+Na-2H]- | 6856.2107 | 311.5 |
[M]+ | 6835.2355 | 311.5 |
[M]- | 6835.2365 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.