CID 16134080
5'-d(tacgtttctatgtcgatggg)-3'
Structural Information
- Molecular Formula
- C197H229F20N70O104P19S19
- SMILES
- CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=S)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)F)OP(=S)(O)OCC6C(C(C(O6)N7C=CC(=NC7=O)N)F)OP(=S)(O)OCC8C(C(C(O8)N9C=NC1=C9N=C(NC1=O)N)F)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)F)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)F)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)F)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)F)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)F)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)F)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)F)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)F)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)F)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)F)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)F)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)F)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)F)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)F)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)F)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)F)O)F
- InChI
- InChI=1S/C197H229F20N70O104P19S19/c1-55-15-271(190(307)260-147(55)290)165-87(199)116(63(23-288)353-165)373-393(316,412)335-35-75-127(98(210)173(365-75)279-46-236-106-135(221)230-43-233-138(106)279)385-404(327,423)338-27-67-119(90(202)164(357-67)270-14-11-85(220)247-189(270)306)376-396(319,415)348-39-79-131(102(214)177(369-79)284-51-241-111-143(284)250-183(226)256-157(111)300)388-407(330,426)345-34-74-123(94(206)169(364-74)275-19-59(5)151(294)264-194(275)311)380-400(323,419)341-30-70-122(93(205)168(360-70)274-18-58(4)150(293)263-193(274)310)379-399(322,418)340-29-69-120(91(203)166(359-69)272-16-56(2)148(291)261-191(272)308)377-397(320,416)336-25-65-117(88(200)162(355-65)268-12-9-83(218)245-187(268)304)374-394(317,413)339-28-68-124(95(207)170(358-68)276-20-60(6)152(295)265-195(276)312)381-401(324,420)346-36-76-128(99(211)174(366-76)280-47-237-107-136(222)231-44-234-139(107)280)386-405(328,424)342-31-71-125(96(208)171(361-71)277-21-61(7)153(296)266-196(277)313)382-402(325,421)350-41-81-132(103(215)178(371-81)285-52-242-112-144(285)251-184(227)257-158(112)301)389-408(331,427)344-33-73-121(92(204)167(363-73)273-17-57(3)149(292)262-192(273)309)378-398(321,417)337-26-66-118(89(201)163(356-66)269-13-10-84(219)246-188(269)305)375-395(318,414)349-40-80-133(104(216)179(370-80)286-53-243-113-145(286)252-185(228)258-159(113)302)390-409(332,428)347-37-77-129(100(212)175(367-77)281-48-238-108-137(223)232-45-235-140(108)281)387-406(329,425)343-32-72-126(97(209)172(362-72)278-22-62(8)154(297)267-197(278)314)383-403(326,422)351-42-82-134(105(217)180(372-82)287-54-244-114-146(287)253-186(229)259-160(114)303)391-410(333,429)352-38-78-130(101(213)176(368-78)283-50-240-110-142(283)249-182(225)255-156(110)299)384-392(315,411)334-24-64-115(289)86(198)161(354-64)282-49-239-109-141(282)248-181(224)254-155(109)298/h9-22,43-54,63-82,86-105,115-134,161-180,288-289H,23-42H2,1-8H3,(H,315,411)(H,316,412)(H,317,413)(H,318,414)(H,319,415)(H,320,416)(H,321,417)(H,322,418)(H,323,419)(H,324,420)(H,325,421)(H,326,422)(H,327,423)(H,328,424)(H,329,425)(H,330,426)(H,331,427)(H,332,428)(H,333,429)(H2,218,245,304)(H2,219,246,305)(H2,220,247,306)(H2,221,230,233)(H2,222,231,234)(H2,223,232,235)(H,260,290,307)(H,261,291,308)(H,262,292,309)(H,263,293,310)(H,264,294,311)(H,265,295,312)(H,266,296,313)(H,267,297,314)(H3,224,248,254,298)(H3,225,249,255,299)(H3,226,250,256,300)(H3,227,251,257,301)(H3,228,252,258,302)(H3,229,253,259,303)
- InChIKey
- DILBNTULDMGCFY-UHFFFAOYSA-N
- Compound name
- 1-[4-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[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)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6815.4243 | 311.5 |
[M+Na]+ | 6837.4062 | 311.5 |
[M-H]- | 6813.4097 | 311.5 |
[M+NH4]+ | 6832.4508 | 311.5 |
[M+K]+ | 6853.3802 | 311.5 |
[M+H-H2O]+ | 6797.4143 | 311.5 |
[M+HCOO]- | 6859.4152 | 311.5 |
[M+CH3COO]- | 6873.4309 | 311.5 |
[M+Na-2H]- | 6835.3917 | 311.5 |
[M]+ | 6814.4165 | 311.5 |
[M]- | 6814.4175 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.