CID 16130797

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

Structural Information

Molecular Formula
C211H286N70O141P20
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=C(N=CN=C21)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=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=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)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=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)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)O)OC
InChI
InChI=1S/C211H286N70O141P20/c1-78-43-271(208(299)258-169(78)283)185-147(353-14)128(413-434(326,327)370-53-88-122(141(347-8)179(389-88)265-37-28-105(215)246-202(265)293)407-427(312,313)367-51-86-121(140(346-7)178(387-86)264-36-27-104(214)245-201(264)292)406-426(310,311)368-52-87-126(145(351-12)183(388-87)269-41-32-109(219)250-206(269)297)410-430(318,319)379-62-97-134(154(360-21)192(399-97)278-74-239-114-161(224)231-70-235-165(114)278)419-439(336,337)377-60-95-131(150(356-17)188(396-95)274-46-81(4)172(286)261-211(274)302)416-436(330,331)376-59-94-130(149(355-16)187(395-94)273-45-80(3)171(285)260-210(273)301)415-433(324,325)369-49-84-120(139(345-6)177(385-84)263-35-26-103(213)244-200(263)291)405-424(306,307)365-47-82-118(282)138(344-5)176(384-82)262-34-25-102(212)243-199(262)290)92(393-185)57-374-428(314,315)408-123-89(390-180(142(123)348-9)266-38-29-106(216)247-203(266)294)54-371-435(328,329)414-129-93(394-186(148(129)354-15)272-44-79(2)170(284)259-209(272)300)58-375-429(316,317)409-124-90(391-181(143(124)349-10)267-39-30-107(217)248-204(267)295)55-372-437(332,333)417-132-96(398-190(152(132)358-19)276-72-237-112-159(222)229-68-233-163(112)276)61-378-431(320,321)411-127-91(392-184(146(127)352-13)270-42-33-110(220)251-207(270)298)56-373-438(334,335)418-133-98(400-191(153(133)359-20)277-73-238-113-160(223)230-69-234-164(113)277)63-380-440(338,339)420-136-100(402-194(156(136)362-23)280-76-241-116-167(280)253-197(226)256-174(116)288)65-382-442(342,343)422-137-101(403-195(157(137)363-24)281-77-242-117-168(281)254-198(227)257-175(117)289)66-383-441(340,341)421-135-99(401-193(155(135)361-22)279-75-240-115-166(279)252-196(225)255-173(115)287)64-381-432(322,323)412-125-85(386-182(144(125)350-11)268-40-31-108(218)249-205(268)296)50-366-425(308,309)404-119-83(48-364-423(303,304)305)397-189(151(119)357-18)275-71-236-111-158(221)228-67-232-162(111)275/h25-46,67-77,82-101,118-157,176-195,282H,47-66H2,1-24H3,(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(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)(H2,212,243,290)(H2,213,244,291)(H2,214,245,292)(H2,215,246,293)(H2,216,247,294)(H2,217,248,295)(H2,218,249,296)(H2,219,250,297)(H2,220,251,298)(H2,221,228,232)(H2,222,229,233)(H2,223,230,234)(H2,224,231,235)(H,258,283,299)(H,259,284,300)(H,260,285,301)(H,261,286,302)(H2,303,304,305)(H3,225,252,255,287)(H3,226,253,256,288)(H3,227,254,257,289)
InChIKey
HUXDQLDSGAXIAT-UHFFFAOYSA-N
Compound name
[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-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[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-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-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-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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-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]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

6675.2114 Da
Monoisotopic Mass

-50.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6676.2187 311.5
[M+Na]+ 6698.2006 311.5
[M-H]- 6674.2041 311.5
[M+NH4]+ 6693.2452 311.5
[M+K]+ 6714.1746 311.5
[M+H-H2O]+ 6658.2087 311.5
[M+HCOO]- 6720.2096 311.5
[M+CH3COO]- 6734.2253 311.5
[M+Na-2H]- 6696.1861 311.5
[M]+ 6675.2109 311.5
[M]- 6675.2119 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.