CID 16204671
S-odn-rev
Structural Information
- Molecular Formula
- C191H250N58O109P20S19
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(O)O)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C191H250N58O109P20S19/c1-79-47-239(184(270)222-163(79)251)136-27-87(250)107(320-136)55-301-360(281,379)356-104-44-153(247-76-206-156-159(201)204-75-205-160(156)247)337-124(104)72-317-368(289,387)347-95-35-144(237-25-16-134(199)216-182(237)268)322-110(95)58-303-363(284,382)342-90-30-139(232-20-11-129(194)211-177(232)263)328-116(90)64-309-378(299,397)358-106-46-155(249-78-208-158-162(249)219-174(203)221-172(158)260)339-126(106)74-319-376(297,395)355-103-43-152(246-54-86(8)170(258)229-191(246)277)334-121(103)69-314-364(285,383)343-91-31-140(233-21-12-130(195)212-178(233)264)321-109(91)57-302-361(282,380)340-88-28-137(230-18-9-127(192)209-175(230)261)326-114(88)62-307-372(293,391)351-99-39-148(242-50-82(4)166(254)225-187(242)273)335-122(99)70-315-374(295,393)353-101-41-150(244-52-84(6)168(256)227-189(244)275)332-119(101)67-312-366(287,385)345-93-33-142(235-23-14-132(197)214-180(235)266)327-115(93)63-308-373(294,392)352-100-40-149(243-51-83(5)167(255)226-188(243)274)336-123(100)71-316-375(296,394)354-102-42-151(245-53-85(7)169(257)228-190(245)276)333-120(102)68-313-367(288,386)346-94-34-143(236-24-15-133(198)215-181(236)267)329-117(94)65-310-377(298,396)357-105-45-154(248-77-207-157-161(248)218-173(202)220-171(157)259)338-125(105)73-318-369(290,388)348-96-36-145(238-26-17-135(200)217-183(238)269)323-111(96)59-304-362(283,381)341-89-29-138(231-19-10-128(193)210-176(231)262)325-113(89)61-306-371(292,390)350-98-38-147(241-49-81(3)165(253)224-186(241)272)331-118(98)66-311-365(286,384)344-92-32-141(234-22-13-131(196)213-179(234)265)324-112(92)60-305-370(291,389)349-97-37-146(330-108(97)56-300-359(278,279)280)240-48-80(2)164(252)223-185(240)271/h9-26,47-54,75-78,87-126,136-155,250H,27-46,55-74H2,1-8H3,(H,281,379)(H,282,380)(H,283,381)(H,284,382)(H,285,383)(H,286,384)(H,287,385)(H,288,386)(H,289,387)(H,290,388)(H,291,389)(H,292,390)(H,293,391)(H,294,392)(H,295,393)(H,296,394)(H,297,395)(H,298,396)(H,299,397)(H2,192,209,261)(H2,193,210,262)(H2,194,211,263)(H2,195,212,264)(H2,196,213,265)(H2,197,214,266)(H2,198,215,267)(H2,199,216,268)(H2,200,217,269)(H2,201,204,205)(H,222,251,270)(H,223,252,271)(H,224,253,272)(H,225,254,273)(H,226,255,274)(H,227,256,275)(H,228,257,276)(H,229,258,277)(H2,278,279,280)(H3,202,218,220,259)(H3,203,219,221,260)
- InChIKey
- MNNUUPABIROXOM-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6327.5323 | 311.5 |
[M+Na]+ | 6349.5142 | 311.5 |
[M-H]- | 6325.5177 | 311.5 |
[M+NH4]+ | 6344.5588 | 311.5 |
[M+K]+ | 6365.4882 | 311.5 |
[M+H-H2O]+ | 6309.5223 | 311.5 |
[M+HCOO]- | 6371.5232 | 311.5 |
[M+CH3COO]- | 6385.5389 | 311.5 |
[M+Na-2H]- | 6347.4997 | 311.5 |
[M]+ | 6326.5245 | 311.5 |
[M]- | 6326.5255 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.