CID 16130805

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

Structural Information

Molecular Formula
C219H293N65O150P20
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=NC7=C6N=C(NC7=O)N)COP(=O)(O)OC8C(OC(C8OC)N9C=C(C(=O)NC9=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=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=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=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=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=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O)O)OC
InChI
InChI=1S/C219H293N65O150P20/c1-75-34-266(209(304)254-165(75)286)182-135(356-12)115(285)86(396-182)45-377-436(318,319)417-117-88(397-183(136(117)357-13)265-33-32-106(220)241-208(265)303)47-378-448(342,343)429-129-100(410-196(149(129)370-26)279-69-235-109-159(279)242-202(223)248-176(109)297)59-390-447(340,341)427-127-98(407-193(146(127)367-23)276-44-85(11)175(296)264-219(276)314)57-388-452(350,351)432-132-105(415-199(152(132)373-29)282-72-238-112-162(282)245-205(226)251-179(112)300)64-395-454(354,355)434-134-104(414-201(154(134)375-31)284-74-240-114-164(284)247-207(228)253-181(114)302)63-394-446(338,339)426-126-92(401-192(145(126)366-22)275-43-84(10)174(295)263-218(275)313)51-382-440(326,327)420-120-95(404-186(139(120)360-16)269-37-78(4)168(289)257-212(269)307)54-385-449(344,345)428-128-99(409-195(148(128)369-25)278-68-234-108-156(222)230-66-232-158(108)278)58-389-453(352,353)433-133-103(413-200(153(133)374-30)283-73-239-113-163(283)246-206(227)252-180(113)301)62-393-445(336,337)425-125-94(403-191(144(125)365-21)274-42-83(9)173(294)262-217(274)312)53-384-442(330,331)422-122-97(406-188(141(122)362-18)271-39-80(6)170(291)259-214(271)309)56-387-451(348,349)431-131-102(412-198(151(131)372-28)281-71-237-111-161(281)244-204(225)250-178(111)299)61-392-444(334,335)424-124-93(402-190(143(124)364-20)273-41-82(8)172(293)261-216(273)311)52-383-441(328,329)421-121-96(405-187(140(121)361-17)270-38-79(5)169(290)258-213(270)308)55-386-450(346,347)430-130-101(411-197(150(130)371-27)280-70-236-110-160(280)243-203(224)249-177(110)298)60-391-443(332,333)423-123-91(400-189(142(123)363-19)272-40-81(7)171(292)260-215(272)310)50-381-439(324,325)419-119-90(399-185(138(119)359-15)268-36-77(3)167(288)256-211(268)306)49-380-438(322,323)418-118-89(398-184(137(118)358-14)267-35-76(2)166(287)255-210(267)305)48-379-437(320,321)416-116-87(46-376-435(315,316)317)408-194(147(116)368-24)277-67-233-107-155(221)229-65-231-157(107)277/h32-44,65-74,86-105,115-154,182-201,285H,45-64H2,1-31H3,(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)(H2,220,241,303)(H2,221,229,231)(H2,222,230,232)(H,254,286,304)(H,255,287,305)(H,256,288,306)(H,257,289,307)(H,258,290,308)(H,259,291,309)(H,260,292,310)(H,261,293,311)(H,262,294,312)(H,263,295,313)(H,264,296,314)(H2,315,316,317)(H3,223,242,248,297)(H3,224,243,249,298)(H3,225,244,250,299)(H3,226,245,251,300)(H3,227,246,252,301)(H3,228,247,253,302)
InChIKey
FAHZBISVXLEFDH-UHFFFAOYSA-N
Compound name
[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy-[[3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]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-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-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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-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-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-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-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6852.205 Da
Monoisotopic Mass

-47.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6853.2123 311.5
[M+Na]+ 6875.1942 311.5
[M-H]- 6851.1977 311.5
[M+NH4]+ 6870.2388 311.5
[M+K]+ 6891.1682 311.5
[M+H-H2O]+ 6835.2023 311.5
[M+HCOO]- 6897.2032 311.5
[M+CH3COO]- 6911.2189 311.5
[M+Na-2H]- 6873.1797 311.5
[M]+ 6852.2045 311.5
[M]- 6852.2055 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.