CID 16130785

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

Structural Information

Molecular Formula
C215H288N72O144P20
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=CC(=NC1=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)O)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=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=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)O)OC
InChI
InChI=1S/C215H288N72O144P20/c1-75-37-273(210(306)262-167(75)289)184-140(358-12)121(87(398-184)49-379-435(319,320)414-117-85(396-180(136(117)354-8)269-33-28-102(217)246-206(269)302)47-377-445(339,340)427-130-97(409-194(150(130)368-22)283-70-240-110-162(283)251-200(225)257-174(110)296)59-389-442(333,334)422-125-91(402-188(144(125)362-16)277-41-79(5)171(293)266-214(277)310)53-383-449(347,348)429-132-96(408-196(152(132)370-24)285-72-242-112-164(285)253-202(227)259-176(112)298)58-388-438(325,326)417-119-84(395-182(138(119)356-10)271-35-30-104(219)248-208(271)304)46-376-440(329,330)419-122-88(399-185(141(122)359-13)274-38-76(2)168(290)263-211(274)307)50-380-441(331,332)420-123-89(400-186(142(123)360-14)275-39-77(3)169(291)264-212(275)308)51-381-447(343,344)425-128-94(406-191(147(128)365-19)280-67-237-107-156(222)231-64-234-159(107)280)56-385-434(317,318)413-116-82(44-373-432(312,313)314)404-193(149(116)367-21)282-69-239-109-161(282)250-199(224)256-173(109)295)418-439(327,328)375-45-83-118(137(355-9)181(394-83)270-34-29-103(218)247-207(270)303)415-437(323,324)387-57-95-129(148(366-20)192(407-95)281-68-238-108-157(223)232-65-235-160(108)281)426-448(345,346)382-52-90-124(143(361-15)187(401-90)276-40-78(4)170(292)265-213(276)309)421-444(337,338)391-61-99-134(154(372-26)198(411-99)287-74-244-114-166(287)255-204(229)261-178(114)300)431-451(351,352)392-62-100-133(153(371-25)197(412-100)286-73-243-113-165(286)254-203(228)260-177(113)299)430-450(349,350)384-54-92-126(145(363-17)189(403-92)278-42-80(6)172(294)267-215(278)311)423-443(335,336)390-60-98-131(151(369-23)195(410-98)284-71-241-111-163(284)252-201(226)258-175(111)297)428-446(341,342)378-48-86-120(139(357-11)183(397-86)272-36-31-105(220)249-209(272)305)416-436(321,322)386-55-93-127(146(364-18)190(405-93)279-66-236-106-155(221)230-63-233-158(106)279)424-433(315,316)374-43-81-115(288)135(353-7)179(393-81)268-32-27-101(216)245-205(268)301/h27-42,63-74,81-100,115-154,179-198,288H,43-62H2,1-26H3,(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H2,216,245,301)(H2,217,246,302)(H2,218,247,303)(H2,219,248,304)(H2,220,249,305)(H2,221,230,233)(H2,222,231,234)(H2,223,232,235)(H,262,289,306)(H,263,290,307)(H,264,291,308)(H,265,292,309)(H,266,293,310)(H,267,294,311)(H2,312,313,314)(H3,224,250,256,295)(H3,225,251,257,296)(H3,226,252,258,297)(H3,227,253,259,298)(H3,228,254,260,299)(H3,229,255,261,300)
InChIKey
FOLXSDUVJOZFLR-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[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-[[[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]-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-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-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]-5-(6-aminopurin-9-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]-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] [5-(4-amino-2-oxopyrimidin-1-yl)-3-[[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]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6801.218 Da
Monoisotopic Mass

-50.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6802.2253 311.5
[M+Na]+ 6824.2072 311.5
[M-H]- 6800.2107 311.5
[M+NH4]+ 6819.2518 311.5
[M+K]+ 6840.1812 311.5
[M+H-H2O]+ 6784.2153 311.5
[M+HCOO]- 6846.2162 311.5
[M+CH3COO]- 6860.2319 311.5
[M+Na-2H]- 6822.1927 311.5
[M]+ 6801.2175 311.5
[M]- 6801.2185 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.