CID 16130806
G-g-g-g-t-g-g-g-t-g-g-g-t-g-g-g-t
Structural Information
- Molecular Formula
- C170H210N73O107P17
- 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=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)O
- InChI
- InChI=1S/C170H210N73O107P17/c1-56-22-227(167(262)223-137(56)245)94-5-60(244)77(318-94)26-302-352(269,270)339-65-10-99(232-44-185-112-125(232)198-155(172)211-142(112)250)323-82(65)31-310-360(285,286)347-73-18-107(240-52-193-120-133(240)206-163(180)219-150(120)258)331-90(73)39-314-361(287,288)343-69-14-103(236-48-189-116-129(236)202-159(176)215-146(116)254)324-83(69)32-306-353(271,272)335-61-6-95(228-23-57(2)138(246)224-168(228)263)319-79(61)28-303-357(279,280)340-66-11-100(233-45-186-113-126(233)199-156(173)212-143(113)251)328-87(66)36-311-365(295,296)348-74-19-108(241-53-194-121-134(241)207-164(181)220-151(121)259)332-91(74)40-315-362(289,290)344-70-15-104(237-49-190-117-130(237)203-160(177)216-147(117)255)325-84(70)33-307-354(273,274)336-62-7-96(229-24-58(3)139(247)225-169(229)264)320-80(62)29-304-358(281,282)341-67-12-101(234-46-187-114-127(234)200-157(174)213-144(114)252)329-88(67)37-312-366(297,298)349-75-20-109(242-54-195-122-135(242)208-165(182)221-152(122)260)333-92(75)41-316-363(291,292)345-71-16-105(238-50-191-118-131(238)204-161(178)217-148(118)256)326-85(71)34-308-355(275,276)337-63-8-97(230-25-59(4)140(248)226-170(230)265)321-81(63)30-305-359(283,284)342-68-13-102(235-47-188-115-128(235)201-158(175)214-145(115)253)330-89(68)38-313-367(299,300)350-76-21-110(243-55-196-123-136(243)209-166(183)222-153(123)261)334-93(76)42-317-364(293,294)346-72-17-106(239-51-192-119-132(239)205-162(179)218-149(119)257)327-86(72)35-309-356(277,278)338-64-9-98(322-78(64)27-301-351(266,267)268)231-43-184-111-124(231)197-154(171)210-141(111)249/h22-25,43-55,60-110,244H,5-21,26-42H2,1-4H3,(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,223,245,262)(H,224,246,263)(H,225,247,264)(H,226,248,265)(H2,266,267,268)(H3,171,197,210,249)(H3,172,198,211,250)(H3,173,199,212,251)(H3,174,200,213,252)(H3,175,201,214,253)(H3,176,202,215,254)(H3,177,203,216,255)(H3,178,204,217,256)(H3,179,205,218,257)(H3,180,206,219,258)(H3,181,207,220,259)(H3,182,208,221,260)(H3,183,209,222,261)
- InChIKey
- UTNRWDIRBIFDNS-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-(2-amino-6-oxo-1H-purin-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-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]+ | 5512.8847 | 311.5 |
[M+Na]+ | 5534.8666 | 311.5 |
[M-H]- | 5510.8701 | 311.5 |
[M+NH4]+ | 5529.9112 | 311.5 |
[M+K]+ | 5550.8406 | 311.5 |
[M+H-H2O]+ | 5494.8747 | 311.5 |
[M+HCOO]- | 5556.8756 | 311.5 |
[M+CH3COO]- | 5570.8913 | 311.5 |
[M+Na-2H]- | 5532.8521 | 311.5 |
[M]+ | 5511.8769 | 311.5 |
[M]- | 5511.8779 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.