CID 16133699
[d(ggggttgggaggagggt)]2
Structural Information
- Molecular Formula
- C170H208N76O101P16
- 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=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=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/C170H208N76O101P16/c1-57-21-230(168(264)227-141(57)249)94-4-60(248)78(316-94)25-299-348(267,268)335-66-10-100(236-46-192-114-130(236)204-157(174)216-145(114)253)322-84(66)31-308-357(285,286)343-74-18-108(244-54-200-122-138(244)212-165(182)224-153(122)261)330-92(74)39-314-362(295,296)345-73-17-107(243-53-199-121-137(243)211-164(181)223-152(121)260)325-87(73)34-307-354(279,280)337-65-9-98(234-44-190-112-126(172)186-42-188-128(112)234)319-81(65)28-303-355(281,282)340-70-14-104(240-50-196-118-134(240)208-161(178)220-149(118)257)327-89(70)36-311-361(293,294)344-72-16-106(242-52-198-120-136(242)210-163(180)222-151(120)259)324-86(72)33-306-353(277,278)336-64-8-97(233-43-189-111-125(171)185-41-187-127(111)233)320-82(64)29-304-356(283,284)341-71-15-105(241-51-197-119-135(241)209-162(179)221-150(119)258)328-90(71)37-312-363(297,298)347-76-20-110(246-56-202-124-140(246)214-167(184)226-155(124)263)331-93(76)40-313-359(289,290)342-69-13-103(239-49-195-117-133(239)207-160(177)219-148(117)256)323-85(69)32-305-351(273,274)334-63-7-96(232-23-59(3)143(251)229-170(232)266)317-79(63)26-301-350(271,272)333-62-6-95(231-22-58(2)142(250)228-169(231)265)318-80(62)27-302-352(275,276)338-68-12-102(238-48-194-116-132(238)206-159(176)218-147(116)255)326-88(68)35-310-360(291,292)346-75-19-109(245-55-201-123-139(245)213-166(183)225-154(123)262)329-91(75)38-309-358(287,288)339-67-11-101(237-47-193-115-131(237)205-158(175)217-146(115)254)321-83(67)30-300-349(269,270)332-61-5-99(315-77(61)24-247)235-45-191-113-129(235)203-156(173)215-144(113)252/h21-23,41-56,60-110,247-248H,4-20,24-40H2,1-3H3,(H,267,268)(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)(H2,171,185,187)(H2,172,186,188)(H,227,249,264)(H,228,250,265)(H,229,251,266)(H3,173,203,215,252)(H3,174,204,216,253)(H3,175,205,217,254)(H3,176,206,218,255)(H3,177,207,219,256)(H3,178,208,220,257)(H3,179,209,221,258)(H3,180,210,222,259)(H3,181,211,223,260)(H3,182,212,224,261)(H3,183,213,225,262)(H3,184,214,226,263)
- InChIKey
- RGEZWVFUFVWUGU-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-[[[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-[[[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]-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]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]+ | 5425.9350 | 311.5 |
[M+Na]+ | 5447.9169 | 311.5 |
[M-H]- | 5423.9204 | 311.5 |
[M+NH4]+ | 5442.9615 | 311.5 |
[M+K]+ | 5463.8909 | 311.5 |
[M+H-H2O]+ | 5407.9250 | 311.5 |
[M+HCOO]- | 5469.9259 | 311.5 |
[M+CH3COO]- | 5483.9416 | 311.5 |
[M+Na-2H]- | 5445.9024 | 311.5 |
[M]+ | 5424.9272 | 311.5 |
[M]- | 5424.9282 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.