CID 16130764

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

Structural Information

Molecular Formula
C202H272N73O133P19
SMILES
CCC1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OC4C(OC(C4OC)N5C=NC6=C5N=C(NC6=O)N)COP(=O)(O)OC7C(OC(C7OC)N8C=NC9=C8N=C(NC9=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=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1OC)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=CC(=NC1=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)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)O)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=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=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)O
InChI
InChI=1S/C202H272N73O133P19/c1-22-73-111(391-410(299,300)356-52-87-124(142(348-17)181(385-87)271-66-228-105-153(271)243-188(215)250-162(105)281)405-425(329,330)371-59-92-126(144(350-19)183(390-92)273-68-230-107-155(273)245-190(217)252-164(107)283)406-422(323,324)362-49-82-116(134(340-9)173(380-82)262-36-28-98(208)238-198(262)291)396-417(313,314)363-50-83-120(138(344-13)177(381-83)266-40-72(3)159(278)256-202(266)295)400-421(321,322)368-57-91-128(146(352-21)185(389-91)275-70-232-109-157(275)247-192(219)254-166(109)285)408-426(331,332)369-55-88-123(141(347-16)180(386-88)270-65-227-104-152(270)242-187(214)249-161(104)280)401-411(301,302)354-41-74-110(276)129(335-4)168(372-74)257-31-23-93(203)233-193(257)286)75(373-167(73)269-64-226-103-151(269)241-186(213)248-160(103)279)43-355-412(303,304)404-125-89(387-182(143(125)349-18)272-67-229-106-154(272)244-189(216)251-163(106)282)58-370-427(333,334)407-127-90(388-184(145(127)351-20)274-69-231-108-156(274)246-191(218)253-165(108)284)56-367-419(317,318)398-118-81(379-175(136(118)342-11)264-38-30-100(210)240-200(264)293)48-361-420(319,320)399-119-84(382-176(137(119)343-12)265-39-71(2)158(277)255-201(265)294)51-364-423(325,326)402-121-86(384-178(139(121)345-14)267-62-224-101-147(211)220-60-222-149(101)267)54-366-424(327,328)403-122-85(383-179(140(122)346-15)268-63-225-102-148(212)221-61-223-150(102)268)53-365-418(315,316)397-117-80(378-174(135(117)341-10)263-37-29-99(209)239-199(263)292)47-360-416(311,312)395-115-79(377-172(133(115)339-8)261-35-27-97(207)237-197(261)290)46-359-415(309,310)394-114-78(376-171(132(114)338-7)260-34-26-96(206)236-196(260)289)45-358-414(307,308)393-113-77(375-170(131(113)337-6)259-33-25-95(205)235-195(259)288)44-357-413(305,306)392-112-76(42-353-409(296,297)298)374-169(130(112)336-5)258-32-24-94(204)234-194(258)287/h23-40,60-70,73-92,110-146,167-185,276H,22,41-59H2,1-21H3,(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(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)(H2,203,233,286)(H2,204,234,287)(H2,205,235,288)(H2,206,236,289)(H2,207,237,290)(H2,208,238,291)(H2,209,239,292)(H2,210,240,293)(H2,211,220,222)(H2,212,221,223)(H,255,277,294)(H,256,278,295)(H2,296,297,298)(H3,213,241,248,279)(H3,214,242,249,280)(H3,215,243,250,281)(H3,216,244,251,282)(H3,217,245,252,283)(H3,218,246,253,284)(H3,219,247,254,285)
InChIKey
YDFVYMZZXOIKJU-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-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-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-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-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-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6436.1777 Da
Monoisotopic Mass

-49.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6437.1850 311.5
[M+Na]+ 6459.1669 311.5
[M-H]- 6435.1704 311.5
[M+NH4]+ 6454.2115 311.5
[M+K]+ 6475.1409 311.5
[M+H-H2O]+ 6419.1750 311.5
[M+HCOO]- 6481.1759 311.5
[M+CH3COO]- 6495.1916 311.5
[M+Na-2H]- 6457.1524 311.5
[M]+ 6436.1772 311.5
[M]- 6436.1782 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

literature stripe

Patent stripe

No patent data available for this compound.