CID 16130810
A-g-g-t-g-g-g-t-g-g-g-t-g-g-g-t-t
Structural Information
- Molecular Formula
- C180H223N75O113P18
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C180H223N75O113P18/c1-61-24-238(176(274)233-147(61)257)102-6-66(256)84(334-102)29-317-370(282,283)352-67-7-103(239-25-62(2)148(258)234-177(239)275)335-86(67)31-318-375(292,293)357-72-12-108(244-49-197-121-135(244)209-164(182)221-152(121)262)344-94(72)39-326-383(308,309)365-80-20-116(252-57-205-129-143(252)217-172(190)229-160(129)270)348-98(80)43-330-379(300,301)361-76-16-112(248-53-201-125-139(248)213-168(186)225-156(125)266)340-90(76)35-322-371(284,285)353-68-8-104(240-26-63(3)149(259)235-178(240)276)336-87(68)32-319-376(294,295)358-73-13-109(245-50-198-122-136(245)210-165(183)222-153(122)263)345-95(73)40-327-384(310,311)366-81-21-117(253-58-206-130-144(253)218-173(191)230-161(130)271)349-99(81)44-331-380(302,303)362-77-17-113(249-54-202-126-140(249)214-169(187)226-157(126)267)341-91(77)36-323-372(286,287)354-69-9-105(241-27-64(4)150(260)236-179(241)277)337-88(69)33-320-377(296,297)359-74-14-110(246-51-199-123-137(246)211-166(184)223-154(123)264)346-96(74)41-328-385(312,313)367-82-22-118(254-59-207-131-145(254)219-174(192)231-162(131)272)350-100(82)45-332-381(304,305)363-78-18-114(250-55-203-127-141(250)215-170(188)227-158(127)268)342-92(78)37-324-373(288,289)355-70-10-106(242-28-65(5)151(261)237-180(242)278)338-89(70)34-321-378(298,299)360-75-15-111(247-52-200-124-138(247)212-167(185)224-155(124)265)347-97(75)42-329-386(314,315)368-83-23-119(255-60-208-132-146(255)220-175(193)232-163(132)273)351-101(83)46-333-382(306,307)364-79-19-115(251-56-204-128-142(251)216-171(189)228-159(128)269)343-93(79)38-325-374(290,291)356-71-11-107(339-85(71)30-316-369(279,280)281)243-48-196-120-133(181)194-47-195-134(120)243/h24-28,47-60,66-119,256H,6-23,29-46H2,1-5H3,(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H2,181,194,195)(H,233,257,274)(H,234,258,275)(H,235,259,276)(H,236,260,277)(H,237,261,278)(H2,279,280,281)(H3,182,209,221,262)(H3,183,210,222,263)(H3,184,211,223,264)(H3,185,212,224,265)(H3,186,213,225,266)(H3,187,214,226,267)(H3,188,215,227,268)(H3,189,216,228,269)(H3,190,217,229,270)(H3,191,218,230,271)(H3,192,219,231,272)(H3,193,220,232,273)
- InChIKey
- WUMRXQHREMRLJQ-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[[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-[[[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-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5800.9360 | 311.5 |
[M+Na]+ | 5822.9179 | 311.5 |
[M-H]- | 5798.9214 | 311.5 |
[M+NH4]+ | 5817.9625 | 311.5 |
[M+K]+ | 5838.8919 | 311.5 |
[M+H-H2O]+ | 5782.9260 | 311.5 |
[M+HCOO]- | 5844.9269 | 311.5 |
[M+CH3COO]- | 5858.9426 | 311.5 |
[M+Na-2H]- | 5820.9034 | 311.5 |
[M]+ | 5799.9282 | 311.5 |
[M]- | 5799.9292 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.