CID 16131507
Dgtgatgggtgggtgggt
Structural Information
- Molecular Formula
- C170H211N70O107P17
- 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)O)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)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)O
- InChI
- InChI=1S/C170H211N70O107P17/c1-58-23-224(166(258)219-139(58)242)97-6-63(241)80(315-97)28-299-349(266,267)337-70-13-104(231-48-187-116-129(231)198-156(173)209-145(116)248)322-87(70)35-309-359(286,287)345-77-20-111(238-55-194-123-136(238)205-163(180)216-152(123)255)329-94(77)42-312-360(288,289)342-75-18-109(236-53-192-121-134(236)203-161(178)214-150(121)253)325-90(75)38-307-352(272,273)334-66-9-100(227-26-61(4)142(245)222-169(227)261)318-84(66)32-302-356(280,281)339-72-15-106(233-50-189-118-131(233)200-158(175)211-147(118)250)328-93(72)41-311-364(296,297)347-79-22-113(240-57-196-125-138(240)207-165(182)218-154(125)257)331-96(79)44-314-362(292,293)344-76-19-110(237-54-193-122-135(237)204-162(179)215-151(122)254)326-91(76)39-308-353(274,275)335-67-10-101(228-27-62(5)143(246)223-170(228)262)319-85(67)33-303-357(282,283)340-71-14-105(232-49-188-117-130(232)199-157(174)210-146(117)249)327-92(71)40-310-363(294,295)346-78-21-112(239-56-195-124-137(239)206-164(181)217-153(124)256)330-95(78)43-313-361(290,291)343-74-17-108(235-52-191-120-133(235)202-160(177)213-149(120)252)324-89(74)37-306-351(270,271)333-65-8-99(226-25-60(3)141(244)221-168(226)260)317-83(65)31-301-355(278,279)338-69-11-102(229-46-185-114-126(171)183-45-184-127(114)229)321-86(69)34-304-358(284,285)341-73-16-107(234-51-190-119-132(234)201-159(176)212-148(119)251)323-88(73)36-305-350(268,269)332-64-7-98(225-24-59(2)140(243)220-167(225)259)316-82(64)30-300-354(276,277)336-68-12-103(320-81(68)29-298-348(263,264)265)230-47-186-115-128(230)197-155(172)208-144(115)247/h23-27,45-57,63-113,241H,6-22,28-44H2,1-5H3,(H,266,267)(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)(H2,171,183,184)(H,219,242,258)(H,220,243,259)(H,221,244,260)(H,222,245,261)(H,223,246,262)(H2,263,264,265)(H3,172,197,208,247)(H3,173,198,209,248)(H3,174,199,210,249)(H3,175,200,211,250)(H3,176,201,212,251)(H3,177,202,213,252)(H3,178,203,214,253)(H3,179,204,215,254)(H3,180,205,216,255)(H3,181,206,217,256)(H3,182,207,218,257)
- InChIKey
- LZANPJYKEREORV-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-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)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]-5-(6-aminopurin-9-yl)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-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]+ | 5471.8833 | 311.5 |
[M+Na]+ | 5493.8652 | 311.5 |
[M-H]- | 5469.8687 | 311.5 |
[M+NH4]+ | 5488.9098 | 311.5 |
[M+K]+ | 5509.8392 | 311.5 |
[M+H-H2O]+ | 5453.8733 | 311.5 |
[M+HCOO]- | 5515.8742 | 311.5 |
[M+CH3COO]- | 5529.8899 | 311.5 |
[M+Na-2H]- | 5491.8507 | 311.5 |
[M]+ | 5470.8755 | 311.5 |
[M]- | 5470.8765 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.