CID 16130772
G g c t c t c c c g g g a g g g g g g g (2'-o-methyl)
Structural Information
- Molecular Formula
- C215H284N84O142P20
- 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=CC(=NC8=O)N)COP(=O)(O)OC9C(OC(C9OC)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=CC(=NC1=O)N)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)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=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)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=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=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)O)OC
- InChI
- InChI=1S/C215H284N84O142P20/c1-69-33-285(214(320)278-163(69)301)183-135(369-9)116(78(409-183)42-390-447(333,334)426-113-76(407-180(132(113)366-6)282-30-25-93(218)251-211(282)317)40-388-451(341,342)430-117-79(410-184(136(117)370-10)286-34-70(2)164(302)279-215(286)321)43-391-448(335,336)427-114-77(408-181(133(114)367-7)283-31-26-94(219)252-212(283)318)41-389-452(343,344)433-120-82(414-188(140(120)374-14)291-60-240-100-154(291)257-200(225)269-168(100)306)46-393-444(327,328)423-110-72(36-383-442(322,323)324)411-186(138(110)372-12)289-58-238-98-152(289)255-198(223)267-166(98)304)429-450(339,340)387-39-75-112(131(365-5)179(406-75)281-29-24-92(217)250-210(281)316)425-446(331,332)385-37-73-111(130(364-4)178(404-73)280-28-23-91(216)249-209(280)315)424-445(329,330)386-38-74-115(134(368-8)182(405-74)284-32-27-95(220)253-213(284)319)428-449(337,338)394-47-83-121(141(375-15)189(415-83)292-61-241-101-155(292)258-201(226)270-169(101)307)435-456(351,352)398-51-87-125(145(379-19)193(419-87)296-65-245-105-159(296)262-205(230)274-173(105)311)438-458(355,356)397-49-85-122(142(376-16)190(417-85)293-62-242-102-156(293)259-202(227)271-170(102)308)434-454(347,348)392-44-80-118(137(371-11)185(412-80)287-56-236-96-149(221)234-55-235-150(96)287)432-453(345,346)395-48-84-123(143(377-17)191(416-84)294-63-243-103-157(294)260-203(228)272-171(103)309)437-457(353,354)399-52-88-126(146(380-20)194(420-88)297-66-246-106-160(297)263-206(231)275-174(106)312)440-460(359,360)401-54-90-128(148(382-22)196(422-90)299-68-248-108-162(299)265-208(233)277-176(108)314)441-461(361,362)402-53-89-127(147(381-21)195(421-89)298-67-247-107-161(298)264-207(232)276-175(107)313)439-459(357,358)400-50-86-124(144(378-18)192(418-86)295-64-244-104-158(295)261-204(229)273-172(104)310)436-455(349,350)396-45-81-119(139(373-13)187(413-81)290-59-239-99-153(290)256-199(224)268-167(99)305)431-443(325,326)384-35-71-109(300)129(363-3)177(403-71)288-57-237-97-151(288)254-197(222)266-165(97)303/h23-34,55-68,71-90,109-148,177-196,300H,35-54H2,1-22H3,(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H,361,362)(H2,216,249,315)(H2,217,250,316)(H2,218,251,317)(H2,219,252,318)(H2,220,253,319)(H2,221,234,235)(H,278,301,320)(H,279,302,321)(H2,322,323,324)(H3,222,254,266,303)(H3,223,255,267,304)(H3,224,256,268,305)(H3,225,257,269,306)(H3,226,258,270,307)(H3,227,259,271,308)(H3,228,260,272,309)(H3,229,261,273,310)(H3,230,262,274,311)(H3,231,263,275,312)(H3,232,264,276,313)(H3,233,265,277,314)
- InChIKey
- NESNZLPGCOPILZ-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-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-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-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-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-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-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methyl [5-(2-amino-6-oxo-1H-purin-9-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]+ | 6934.2407 | 311.5 |
[M+Na]+ | 6956.2226 | 311.5 |
[M-H]- | 6932.2261 | 311.5 |
[M+NH4]+ | 6951.2672 | 311.5 |
[M+K]+ | 6972.1966 | 311.5 |
[M+H-H2O]+ | 6916.2307 | 311.5 |
[M+HCOO]- | 6978.2316 | 311.5 |
[M+CH3COO]- | 6992.2473 | 311.5 |
[M+Na-2H]- | 6954.2081 | 311.5 |
[M]+ | 6933.2329 | 311.5 |
[M]- | 6933.2339 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.