CID 16130769

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

Structural Information

Molecular Formula
C213H285N77O140P20
SMILES
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)OC)OP(=O)(O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)OC)OP(=O)(O)OCC7C(C(C(O7)N8C=C(C(=O)NC8=O)C)OC)OP(=O)(O)OCC9C(C(C(O9)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=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=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=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=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)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/C213H285N77O140P20/c1-75-38-278(211(308)268-169(75)292)185-142(359-11)116(79(399-185)42-372-431(311,312)313)412-433(316,317)374-43-80-117(136(353-5)179(393-80)272-32-25-99(215)250-205(272)302)413-434(318,319)375-44-81-118(137(354-6)180(394-81)273-33-26-100(216)251-206(273)303)414-435(320,321)380-49-86-124(144(361-13)187(400-86)280-40-77(3)171(294)270-213(280)310)420-441(332,333)388-57-94-132(152(369-21)195(408-94)288-72-246-112-166(288)259-201(228)265-175(112)298)429-449(348,349)391-60-97-133(153(370-22)196(411-97)289-73-247-113-167(289)260-202(229)266-176(113)299)428-448(346,347)385-54-91-128(148(365-17)191(405-91)284-68-242-108-158(224)234-64-238-162(108)284)424-446(342,343)389-58-95-134(154(371-23)197(409-95)290-74-248-114-168(290)261-203(230)267-177(114)300)430-450(350,351)390-59-96-130(150(367-19)193(410-96)286-70-244-110-164(286)257-199(226)263-173(110)296)426-445(340,341)378-47-84-119(138(355-7)181(397-84)274-34-27-101(217)252-207(274)304)415-436(322,323)381-50-87-123(143(360-12)186(401-87)279-39-76(2)170(293)269-212(279)309)419-440(330,331)387-56-93-129(149(366-18)192(407-93)285-69-243-109-163(285)256-198(225)262-172(109)295)425-444(338,339)379-48-85-121(140(357-9)183(398-85)276-36-29-103(219)254-209(276)306)417-438(326,327)383-52-89-126(146(363-15)189(403-89)282-66-240-106-156(222)232-62-236-160(106)282)422-442(334,335)377-46-83-122(141(358-10)184(396-83)277-37-30-104(220)255-210(277)307)418-439(328,329)386-55-92-131(151(368-20)194(406-92)287-71-245-111-165(287)258-200(227)264-174(111)297)427-447(344,345)384-53-90-127(147(364-16)190(404-90)283-67-241-107-157(223)233-63-237-161(107)283)423-443(336,337)376-45-82-120(139(356-8)182(395-82)275-35-28-102(218)253-208(275)305)416-437(324,325)382-51-88-125(145(362-14)188(402-88)281-65-239-105-155(221)231-61-235-159(105)281)421-432(314,315)373-41-78-115(291)135(352-4)178(392-78)271-31-24-98(214)249-204(271)301/h24-40,61-74,78-97,115-154,178-197,291H,41-60H2,1-23H3,(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)(H,350,351)(H2,214,249,301)(H2,215,250,302)(H2,216,251,303)(H2,217,252,304)(H2,218,253,305)(H2,219,254,306)(H2,220,255,307)(H2,221,231,235)(H2,222,232,236)(H2,223,233,237)(H2,224,234,238)(H,268,292,308)(H,269,293,309)(H,270,294,310)(H2,311,312,313)(H3,225,256,262,295)(H3,226,257,263,296)(H3,227,258,264,297)(H3,228,259,265,298)(H3,229,260,266,299)(H3,230,261,267,300)
InChIKey
OWENRLPNGYKCIM-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-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)-2-[[[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-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]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]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-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]-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]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [3-[[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]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

6780.23 Da
Monoisotopic Mass

-51.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6781.2373 311.5
[M+Na]+ 6803.2192 311.5
[M-H]- 6779.2227 311.5
[M+NH4]+ 6798.2638 311.5
[M+K]+ 6819.1932 311.5
[M+H-H2O]+ 6763.2273 311.5
[M+HCOO]- 6825.2282 311.5
[M+CH3COO]- 6839.2439 311.5
[M+Na-2H]- 6801.2047 311.5
[M]+ 6780.2295 311.5
[M]- 6780.2305 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.