CID 16131502
Dtggtgggtgggtgggt
Structural Information
- Molecular Formula
- C160H199N65O102P16
- 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)O)N1C=C(C(=O)NC1=O)C)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/C160H199N65O102P16/c1-54-22-210(156(243)205-129(54)227)91-6-59(226)75(297-91)27-282-329(251,252)317-64-11-96(215-43-172-107-118(215)183-145(161)194-134(107)232)302-80(64)32-290-337(267,268)325-72-19-104(223-51-180-115-126(223)191-153(169)202-142(115)240)310-88(72)40-294-339(271,272)322-69-16-101(220-48-177-112-123(220)188-150(166)199-139(112)237)304-82(69)34-287-331(255,256)315-62-9-94(213-25-57(4)132(230)208-159(213)246)300-78(62)30-284-335(263,264)319-66-13-98(217-45-174-109-120(217)185-147(163)196-136(109)234)308-86(66)38-292-342(277,278)327-74-21-106(225-53-182-117-128(225)193-155(171)204-144(117)242)312-90(74)42-296-341(275,276)324-71-18-103(222-50-179-114-125(222)190-152(168)201-141(114)239)306-84(71)36-289-333(259,260)316-63-10-95(214-26-58(5)133(231)209-160(214)247)301-79(63)31-285-336(265,266)320-67-14-99(218-46-175-110-121(218)186-148(164)197-137(110)235)309-87(67)39-293-343(279,280)326-73-20-105(224-52-181-116-127(224)192-154(170)203-143(116)241)311-89(73)41-295-340(273,274)323-70-17-102(221-49-178-113-124(221)189-151(167)200-140(113)238)305-83(70)35-288-332(257,258)314-61-8-93(212-24-56(3)131(229)207-158(212)245)299-77(61)29-283-334(261,262)318-65-12-97(216-44-173-108-119(216)184-146(162)195-135(108)233)307-85(65)37-291-338(269,270)321-68-15-100(219-47-176-111-122(219)187-149(165)198-138(111)236)303-81(68)33-286-330(253,254)313-60-7-92(298-76(60)28-281-328(248,249)250)211-23-55(2)130(228)206-157(211)244/h22-26,43-53,59-106,226H,6-21,27-42H2,1-5H3,(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,205,227,243)(H,206,228,244)(H,207,229,245)(H,208,230,246)(H,209,231,247)(H2,248,249,250)(H3,161,183,194,232)(H3,162,184,195,233)(H3,163,185,196,234)(H3,164,186,197,235)(H3,165,187,198,236)(H3,166,188,199,237)(H3,167,189,200,238)(H3,168,190,201,239)(H3,169,191,202,240)(H3,170,192,203,241)(H3,171,193,204,242)
- InChIKey
- FDPVBOLYGJXVNW-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5158.8257 | 311.5 |
[M+Na]+ | 5180.8076 | 311.5 |
[M-H]- | 5156.8111 | 311.5 |
[M+NH4]+ | 5175.8522 | 311.5 |
[M+K]+ | 5196.7816 | 311.5 |
[M+H-H2O]+ | 5140.8157 | 311.5 |
[M+HCOO]- | 5202.8166 | 311.5 |
[M+CH3COO]- | 5216.8323 | 311.5 |
[M+Na-2H]- | 5178.7931 | 311.5 |
[M]+ | 5157.8179 | 311.6 |
[M]- | 5157.8189 | 311.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.