CID 16133701
[d(ggggtgggaaggagggt)]2
Structural Information
- Molecular Formula
- C170H207N79O99P16
- 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(OC1CO)N1C=NC2=C1N=C(NC2=O)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=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)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)O
- InChI
- InChI=1S/C170H207N79O99P16/c1-57-20-233(169(266)231-143(57)252)93-3-59(251)77(317-93)23-300-349(268,269)335-65-9-99(239-46-196-114-132(239)208-158(175)220-146(114)255)323-83(65)29-309-358(286,287)344-73-17-107(247-54-204-122-140(247)216-166(183)228-154(122)263)331-91(73)37-315-363(296,297)346-72-16-106(246-53-203-121-139(246)215-165(182)227-153(121)262)326-86(72)32-308-355(280,281)338-64-8-97(237-44-194-112-127(173)188-41-191-130(112)237)321-81(64)27-305-357(284,285)342-70-14-104(244-51-201-119-137(244)213-163(180)225-151(119)260)328-88(70)34-312-362(294,295)345-71-15-105(245-52-202-120-138(245)214-164(181)226-152(120)261)325-85(71)31-307-354(278,279)337-63-7-96(236-43-193-111-126(172)187-40-190-129(111)236)319-79(63)25-303-353(276,277)336-62-6-95(235-42-192-110-125(171)186-39-189-128(110)235)320-80(62)26-304-356(282,283)341-69-13-103(243-50-200-118-136(243)212-162(179)224-150(118)259)329-89(69)35-313-364(298,299)348-75-19-109(249-56-206-124-142(249)218-168(185)230-156(124)265)332-92(75)38-314-360(290,291)343-68-12-102(242-49-199-117-135(242)211-161(178)223-149(117)258)324-84(68)30-306-351(272,273)334-61-5-94(234-21-58(2)144(253)232-170(234)267)318-78(61)24-302-352(274,275)339-67-11-101(241-48-198-116-134(241)210-160(177)222-148(116)257)327-87(67)33-311-361(292,293)347-74-18-108(248-55-205-123-141(248)217-167(184)229-155(123)264)330-90(74)36-310-359(288,289)340-66-10-100(240-47-197-115-133(240)209-159(176)221-147(115)256)322-82(66)28-301-350(270,271)333-60-4-98(316-76(60)22-250)238-45-195-113-131(238)207-157(174)219-145(113)254/h20-21,39-56,59-109,250-251H,3-19,22-38H2,1-2H3,(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(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)(H2,171,186,189)(H2,172,187,190)(H2,173,188,191)(H,231,252,266)(H,232,253,267)(H3,174,207,219,254)(H3,175,208,220,255)(H3,176,209,221,256)(H3,177,210,222,257)(H3,178,211,223,258)(H3,179,212,224,259)(H3,180,213,225,260)(H3,181,214,226,261)(H3,182,215,227,262)(H3,183,216,228,263)(H3,184,217,229,264)(H3,185,218,230,265)
- InChIKey
- GSABAOUDGSOADM-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-[[[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-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)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-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-hydroxy-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]+ | 5434.9468 | 311.5 |
[M+Na]+ | 5456.9287 | 311.5 |
[M-H]- | 5432.9322 | 311.5 |
[M+NH4]+ | 5451.9733 | 311.5 |
[M+K]+ | 5472.9027 | 311.5 |
[M+H-H2O]+ | 5416.9368 | 311.5 |
[M+HCOO]- | 5478.9377 | 311.5 |
[M+CH3COO]- | 5492.9534 | 311.5 |
[M+Na-2H]- | 5454.9142 | 311.5 |
[M]+ | 5433.9390 | 311.5 |
[M]- | 5433.9400 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.