CID 16204674
S-odn-rev-sa-sense
Structural Information
- Molecular Formula
- C193H246N74O100P20S19
- 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=CC(=NC8=O)N)OP(=S)(O)OCC9C(CC(O9)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(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=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=NC2=C1N=C(NC2=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=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=CC(=NC1=O)N)O)S
- InChI
- InChI=1S/C193H246N74O100P20S19/c1-78-39-255(190(283)244-173(78)269)136-26-89(109(336-136)50-316-372(293,391)351-85-22-132(251-15-8-125(197)234-186(251)279)331-104(85)45-311-370(291,389)349-83-20-130(249-13-6-123(195)232-184(249)277)330-103(83)44-309-368(287,288)289)355-376(297,395)314-48-107-86(23-133(334-107)252-16-9-126(198)235-187(252)280)352-373(294,392)317-51-110-92(29-139(337-110)258-42-81(4)176(272)247-193(258)286)358-379(300,398)320-55-114-94(31-141(341-114)260-70-223-150-159(202)211-64-217-165(150)260)360-380(301,399)315-49-108-88(25-135(335-108)254-18-11-128(200)237-189(254)282)354-375(296,394)327-61-120-100(37-147(347-120)266-76-229-156-171(266)239-181(208)242-178(156)274)367-387(308,406)328-62-121-101(38-148(348-121)267-77-230-157-172(267)240-182(209)243-179(157)275)366-386(307,405)324-58-117-95(32-142(344-117)261-71-224-151-160(203)212-65-218-166(151)261)361-381(302,400)319-53-112-91(28-138(339-112)257-41-80(3)175(271)246-192(257)285)357-378(299,397)318-52-111-90(27-137(338-111)256-40-79(2)174(270)245-191(256)284)356-377(298,396)313-47-106-84(21-131(333-106)250-14-7-124(196)233-185(250)278)350-371(292,390)312-46-105-87(24-134(332-105)253-17-10-127(199)236-188(253)281)353-374(295,393)326-60-119-99(36-146(346-119)265-75-228-155-170(265)238-180(207)241-177(155)273)365-385(306,404)325-59-118-98(35-145(345-118)264-74-227-154-163(206)215-68-221-169(154)264)364-384(305,403)323-57-116-97(34-144(343-116)263-73-226-153-162(205)214-67-220-168(153)263)363-383(304,402)322-56-115-96(33-143(342-115)262-72-225-152-161(204)213-66-219-167(152)262)362-382(303,401)321-54-113-93(30-140(340-113)259-69-222-149-158(201)210-63-216-164(149)259)359-369(290,388)310-43-102-82(268)19-129(329-102)248-12-5-122(194)231-183(248)276/h5-18,39-42,63-77,82-121,129-148,268H,19-38,43-62H2,1-4H3,(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)(H,305,403)(H,306,404)(H,307,405)(H,308,406)(H2,194,231,276)(H2,195,232,277)(H2,196,233,278)(H2,197,234,279)(H2,198,235,280)(H2,199,236,281)(H2,200,237,282)(H2,201,210,216)(H2,202,211,217)(H2,203,212,218)(H2,204,213,219)(H2,205,214,220)(H2,206,215,221)(H,244,269,283)(H,245,270,284)(H,246,271,285)(H,247,272,286)(H2,287,288,289)(H3,207,238,241,273)(H3,208,239,242,274)(H3,209,240,243,275)
- InChIKey
- MTLORSWUQOCEFK-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-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-(6-aminopurin-9-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]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-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]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]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-(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]+ | 6427.5957 | 311.5 |
[M+Na]+ | 6449.5776 | 311.5 |
[M-H]- | 6425.5811 | 311.5 |
[M+NH4]+ | 6444.6222 | 311.5 |
[M+K]+ | 6465.5516 | 311.5 |
[M+H-H2O]+ | 6409.5857 | 311.5 |
[M+HCOO]- | 6471.5866 | 311.5 |
[M+CH3COO]- | 6485.6023 | 311.5 |
[M+Na-2H]- | 6447.5631 | 311.5 |
[M]+ | 6426.5879 | 311.5 |
[M]- | 6426.5889 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.