CID 16130780

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

Structural Information

Molecular Formula
C211H283N79O138P20
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=C(N=CN=C76)N)COP(=O)(O)OC8C(OC(C8OC)N9C=CC(=NC9=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=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=CC(=NC1=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=NC2=C1N=C(NC2=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=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=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=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)O)OC
InChI
InChI=1S/C211H283N79O138P20/c1-75-40-280(211(308)270-169(75)292)185-144(359-11)124(85(399-185)50-379-432(316,317)412-118-81(395-179(138(118)353-5)274-34-25-99(215)252-205(274)302)46-375-440(332,333)420-126-87(401-187(146(126)361-13)282-66-240-106-156(222)232-62-236-160(106)282)52-381-434(320,321)414-122-84(398-183(142(122)357-9)278-38-29-103(219)256-209(278)306)49-378-443(338,339)425-131-93(407-192(151(131)366-18)287-71-245-111-165(287)260-198(227)266-172(111)295)58-387-447(346,347)427-133-95(409-194(153(133)368-20)289-73-247-113-167(289)262-200(229)268-174(113)297)60-389-448(348,349)428-134-94(408-195(154(134)369-21)290-74-248-114-168(290)263-201(230)269-175(114)298)59-388-446(344,345)426-132-91(405-193(152(132)367-19)288-72-246-112-166(288)261-199(228)267-173(112)296)56-385-436(324,325)416-119-79(393-180(139(119)354-6)275-35-26-100(216)253-206(275)303)44-372-431(314,315)410-116-77(42-370-429(309,310)311)391-177(136(116)351-3)272-32-23-97(213)250-203(272)300)418-438(328,329)373-45-80-120(140(355-7)181(394-80)276-36-27-101(217)254-207(276)304)417-437(326,327)384-55-90-129(149(364-16)190(404-90)285-69-243-109-163(285)258-196(225)264-170(109)293)423-441(334,335)376-47-82-123(143(358-10)184(396-82)279-39-30-104(220)257-210(279)307)415-435(322,323)382-53-88-127(147(362-14)188(402-88)283-67-241-107-157(223)233-63-237-161(107)283)421-444(340,341)383-54-89-128(148(363-15)189(403-89)284-68-242-108-158(224)234-64-238-162(108)284)422-445(342,343)386-57-92-130(150(365-17)191(406-92)286-70-244-110-164(286)259-197(226)265-171(110)294)424-442(336,337)377-48-83-121(141(356-8)182(397-83)277-37-28-102(218)255-208(277)305)413-433(318,319)380-51-86-125(145(360-12)186(400-86)281-65-239-105-155(221)231-61-235-159(105)281)419-439(330,331)374-43-78-117(137(352-4)178(392-78)273-33-24-98(214)251-204(273)301)411-430(312,313)371-41-76-115(291)135(350-2)176(390-76)271-31-22-96(212)249-202(271)299/h22-40,61-74,76-95,115-154,176-195,291H,41-60H2,1-21H3,(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)(H,344,345)(H,346,347)(H,348,349)(H2,212,249,299)(H2,213,250,300)(H2,214,251,301)(H2,215,252,302)(H2,216,253,303)(H2,217,254,304)(H2,218,255,305)(H2,219,256,306)(H2,220,257,307)(H2,221,231,235)(H2,222,232,236)(H2,223,233,237)(H2,224,234,238)(H,270,292,308)(H2,309,310,311)(H3,225,258,264,293)(H3,226,259,265,294)(H3,227,260,266,295)(H3,228,261,267,296)(H3,229,262,268,297)(H3,230,263,269,298)
InChIKey
LTESATWMRUWVBD-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-[[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-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-hydroxy-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-5-(6-aminopurin-9-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-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-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-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-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6750.231 Da
Monoisotopic Mass

-52.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6751.2383 311.5
[M+Na]+ 6773.2202 311.5
[M-H]- 6749.2237 311.5
[M+NH4]+ 6768.2648 311.5
[M+K]+ 6789.1942 311.5
[M+H-H2O]+ 6733.2283 311.5
[M+HCOO]- 6795.2292 311.5
[M+CH3COO]- 6809.2449 311.5
[M+Na-2H]- 6771.2057 311.5
[M]+ 6750.2305 311.5
[M]- 6750.2315 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.