CID 16130767

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

Structural Information

Molecular Formula
C215H287N75O142P20
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=CC(=NC9=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)O)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=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=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=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=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=C(N=CN=C21)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)O)OC
InChI
InChI=1S/C215H287N75O142P20/c1-75-36-276(211(308)266-169(75)292)185-140(359-11)121(88(401-185)49-382-442(332,333)421-123-89(402-187(142(123)361-13)278-38-77(3)171(294)268-213(278)310)50-383-441(330,331)420-122-86(399-186(141(122)360-12)277-37-76(2)170(293)267-212(277)309)47-380-437(322,323)416-118-84(397-182(137(118)356-8)273-33-28-102(218)251-208(273)305)45-378-446(340,341)428-130-95(409-195(150(130)369-21)286-70-244-110-164(286)255-201(226)261-175(110)298)56-389-438(324,325)417-119-83(396-183(138(119)357-9)274-34-29-103(219)252-209(274)306)44-377-445(338,339)425-127-92(406-191(146(127)365-17)282-66-240-106-156(222)232-62-236-160(106)282)53-385-435(318,319)414-116-81(42-374-433(313,314)315)404-194(149(116)368-20)285-69-243-109-163(285)254-200(225)260-174(109)297)419-440(328,329)376-43-82-117(136(355-7)181(395-82)272-32-27-101(217)250-207(272)304)415-436(320,321)381-48-87-124(143(362-14)188(400-87)279-39-78(4)172(295)269-214(279)311)422-443(334,335)391-58-97-131(151(370-22)196(411-97)287-71-245-111-165(287)256-202(227)262-176(111)299)429-447(342,343)379-46-85-120(139(358-10)184(398-85)275-35-30-104(220)253-210(275)307)418-439(326,327)390-57-96-132(152(371-23)197(410-96)288-72-246-112-166(288)257-203(228)263-177(112)300)430-448(344,345)384-51-90-125(144(363-15)189(403-90)280-40-79(5)173(296)270-215(280)312)423-444(336,337)392-59-98-133(153(372-24)198(412-98)289-73-247-113-167(289)258-204(229)264-178(113)301)431-452(352,353)388-55-94-128(147(366-18)192(408-94)283-67-241-107-157(223)233-63-237-161(107)283)426-449(346,347)386-54-93-129(148(367-19)193(407-93)284-68-242-108-158(224)234-64-238-162(108)284)427-450(348,349)393-60-99-134(154(373-25)199(413-99)290-74-248-114-168(290)259-205(230)265-179(114)302)432-451(350,351)387-52-91-126(145(364-16)190(405-91)281-65-239-105-155(221)231-61-235-159(105)281)424-434(316,317)375-41-80-115(291)135(354-6)180(394-80)271-31-26-100(216)249-206(271)303/h26-40,61-74,80-99,115-154,180-199,291H,41-60H2,1-25H3,(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)(H2,216,249,303)(H2,217,250,304)(H2,218,251,305)(H2,219,252,306)(H2,220,253,307)(H2,221,231,235)(H2,222,232,236)(H2,223,233,237)(H2,224,234,238)(H,266,292,308)(H,267,293,309)(H,268,294,310)(H,269,295,311)(H,270,296,312)(H2,313,314,315)(H3,225,254,260,297)(H3,226,255,261,298)(H3,227,256,262,299)(H3,228,257,263,300)(H3,229,258,264,301)(H3,230,259,265,302)
InChIKey
CFMQZXMLJSXBSB-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[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-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-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-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-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-(4-amino-2-oxopyrimidin-1-yl)-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-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-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

6810.2295 Da
Monoisotopic Mass

-50.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6811.2368 311.5
[M+Na]+ 6833.2187 311.5
[M-H]- 6809.2222 311.5
[M+NH4]+ 6828.2633 311.5
[M+K]+ 6849.1927 311.5
[M+H-H2O]+ 6793.2268 311.5
[M+HCOO]- 6855.2277 311.5
[M+CH3COO]- 6869.2434 311.5
[M+Na-2H]- 6831.2042 311.5
[M]+ 6810.2290 311.5
[M]- 6810.2300 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.