CID 16204675
S-odn-rev-sa-mis
Structural Information
- Molecular Formula
- C192H247N69O102P20S19
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=O)(O)O)N5C=CC(=NC5=O)N)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=NC9=C8N=C(NC9=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S
- InChI
- InChI=1S/C192H247N69O102P20S19/c1-79-42-250(188(278)237-171(79)263)140-30-92(352-373(294,392)310-52-109-87(25-135(330-109)245-17-9-127(196)228-183(245)273)347-368(289,387)308-50-107-86(24-134(328-107)244-16-8-126(195)227-182(244)272)346-367(288,386)309-51-108-89(27-137(329-108)247-19-11-129(198)230-185(247)275)349-370(291,389)319-62-119-101(39-149(340-119)259-76-222-156-163(205)212-71-217-168(156)259)361-383(304,402)322-64-121-100(38-148(342-121)258-75-221-155-162(204)211-70-216-167(155)258)360-381(302,400)316-58-115-95(33-143(336-115)253-45-82(4)174(266)240-191(253)281)354-375(296,394)320-60-117-97(35-145(338-117)255-72-218-152-159(201)208-67-213-164(152)255)357-365(286,384)306-47-104-84(262)22-132(325-104)242-14-6-124(193)225-180(242)270)113(334-140)56-314-374(295,393)353-93-31-141(251-43-80(2)172(264)238-189(251)279)335-114(93)57-315-380(301,399)359-99-37-147(257-74-220-154-161(203)210-69-215-166(154)257)339-118(99)61-318-371(292,390)350-90-28-138(248-20-12-130(199)231-186(248)276)332-111(90)54-312-379(300,398)362-102-40-150(260-77-223-157-169(260)233-178(206)235-176(157)268)343-122(102)65-323-372(293,391)351-91-29-139(249-21-13-131(200)232-187(249)277)331-110(91)53-311-378(299,397)358-98-36-146(256-73-219-153-160(202)209-68-214-165(153)256)341-120(98)63-321-376(297,395)355-96-34-144(254-46-83(5)175(267)241-192(254)282)337-116(96)59-317-382(303,401)363-103-41-151(261-78-224-158-170(261)234-179(207)236-177(158)269)344-123(103)66-324-377(298,396)356-94-32-142(252-44-81(3)173(265)239-190(252)280)333-112(94)55-313-369(290,388)348-88-26-136(246-18-10-128(197)229-184(246)274)327-106(88)49-307-366(287,385)345-85-23-133(243-15-7-125(194)226-181(243)271)326-105(85)48-305-364(283,284)285/h6-21,42-46,67-78,84-123,132-151,262H,22-41,47-66H2,1-5H3,(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)(H,300,398)(H,301,399)(H,302,400)(H,303,401)(H,304,402)(H2,193,225,270)(H2,194,226,271)(H2,195,227,272)(H2,196,228,273)(H2,197,229,274)(H2,198,230,275)(H2,199,231,276)(H2,200,232,277)(H2,201,208,213)(H2,202,209,214)(H2,203,210,215)(H2,204,211,216)(H2,205,212,217)(H,237,263,278)(H,238,264,279)(H,239,265,280)(H,240,266,281)(H,241,267,282)(H2,283,284,285)(H3,206,233,235,268)(H3,207,234,236,269)
- InChIKey
- LCHDSXFTSIFVAR-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-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-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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]methyl dihydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6378.5783 | 311.5 |
[M+Na]+ | 6400.5602 | 311.5 |
[M-H]- | 6376.5637 | 311.5 |
[M+NH4]+ | 6395.6048 | 311.5 |
[M+K]+ | 6416.5342 | 311.5 |
[M+H-H2O]+ | 6360.5683 | 311.5 |
[M+HCOO]- | 6422.5692 | 311.5 |
[M+CH3COO]- | 6436.5849 | 311.5 |
[M+Na-2H]- | 6398.5457 | 311.5 |
[M]+ | 6377.5705 | 311.5 |
[M]- | 6377.5715 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.