CID 16130789

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

Structural Information

Molecular Formula
C218H292N66O148P20
SMILES
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(C(C(O3)N4C=C(C(=O)NC4=O)C)OC)OP(=O)(O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)OC)OP(=O)(O)OCC7C(C(C(O7)N8C=C(C(=O)NC8=O)C)OC)OP(=O)(O)OCC9C(C(C(O9)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=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=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=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=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=CC(=NC1=O)N)OC)O)OC
InChI
InChI=1S/C218H292N66O148P20/c1-76-35-267(209(303)255-167(76)286)184-138(356-13)117(87(396-184)46-374-433(313,314)315)414-435(318,319)377-49-90-120(140(358-15)186(398-90)269-37-78(3)169(288)257-211(269)305)417-437(322,323)376-47-88-118(137(355-12)183(395-88)266-34-32-107(220)244-208(266)302)415-436(320,321)378-50-91-121(141(359-16)187(399-91)270-38-79(4)170(289)258-212(270)306)418-439(326,327)380-51-92-122(142(360-17)188(400-92)271-39-80(5)171(290)259-213(271)307)420-441(330,331)383-54-95-127(147(365-22)193(403-95)276-44-85(10)176(295)264-218(276)312)424-444(336,337)389-60-101-132(152(370-27)198(409-101)281-72-239-112-163(281)246-203(225)251-178(112)297)429-449(346,347)388-59-100-130(150(368-25)196(408-100)279-70-237-110-158(223)231-67-234-161(110)279)427-448(344,345)391-62-103-134(154(372-29)200(411-103)283-74-241-114-165(283)248-205(227)253-180(114)299)431-451(350,351)392-63-104-131(151(369-26)197(412-104)280-71-238-111-162(280)245-202(224)250-177(111)296)428-446(340,341)385-56-97-125(145(363-20)191(405-97)274-42-83(8)174(293)262-216(274)310)422-442(332,333)381-52-93-123(143(361-18)189(401-93)272-40-81(6)172(291)260-214(272)308)419-440(328,329)382-53-94-126(146(364-21)192(402-94)275-43-84(9)175(294)263-217(275)311)423-443(334,335)386-57-98-129(149(367-24)195(406-98)278-69-236-109-157(222)230-66-233-160(109)278)426-447(342,343)390-61-102-135(155(373-30)201(410-102)284-75-242-115-166(284)249-206(228)254-181(115)300)432-452(352,353)393-64-105-133(153(371-28)199(413-105)282-73-240-113-164(282)247-204(226)252-179(113)298)430-450(348,349)387-58-99-128(148(366-23)194(407-99)277-68-235-108-156(221)229-65-232-159(108)277)425-445(338,339)384-55-96-124(144(362-19)190(404-96)273-41-82(7)173(292)261-215(273)309)421-438(324,325)379-48-89-119(139(357-14)185(397-89)268-36-77(2)168(287)256-210(268)304)416-434(316,317)375-45-86-116(285)136(354-11)182(394-86)265-33-31-106(219)243-207(265)301/h31-44,65-75,86-105,116-155,182-201,285H,45-64H2,1-30H3,(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)(H2,219,243,301)(H2,220,244,302)(H2,221,229,232)(H2,222,230,233)(H2,223,231,234)(H,255,286,303)(H,256,287,304)(H,257,288,305)(H,258,289,306)(H,259,290,307)(H,260,291,308)(H,261,292,309)(H,262,293,310)(H,263,294,311)(H,264,295,312)(H2,313,314,315)(H3,224,245,250,296)(H3,225,246,251,297)(H3,226,247,252,298)(H3,227,248,253,299)(H3,228,249,254,300)
InChIKey
DXGBPVYBVALTGM-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-[[[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-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[2-[[hydroxy-[4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]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-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]-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]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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

6821.2104 Da
Monoisotopic Mass

-47.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6822.2177 311.5
[M+Na]+ 6844.1996 311.5
[M-H]- 6820.2031 311.5
[M+NH4]+ 6839.2442 311.5
[M+K]+ 6860.1736 311.5
[M+H-H2O]+ 6804.2077 311.5
[M+HCOO]- 6866.2086 311.5
[M+CH3COO]- 6880.2243 311.5
[M+Na-2H]- 6842.1851 311.5
[M]+ 6821.2099 311.5
[M]- 6821.2109 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.