CID 16197659
Dmtr-tgggttttttttttt-3'
Structural Information
- Molecular Formula
- C171H212N39O105P15
- 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)OC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)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=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C171H212N39O105P15/c1-73-43-196(159(227)184-141(73)212)120-28-90(211)105(286-120)55-271-316(239,240)301-91-29-121(197-44-74(2)142(213)185-160(197)228)287-106(91)56-272-317(241,242)302-92-30-122(198-45-75(3)143(214)186-161(198)229)288-107(92)57-273-318(243,244)303-93-31-123(199-46-76(4)144(215)187-162(199)230)289-108(93)58-274-319(245,246)304-94-32-124(200-47-77(5)145(216)188-163(200)231)290-109(94)59-275-320(247,248)305-95-33-125(201-48-78(6)146(217)189-164(201)232)291-110(95)60-276-321(249,250)306-96-34-126(202-49-79(7)147(218)190-165(202)233)292-111(96)61-277-322(251,252)307-97-35-127(203-50-80(8)148(219)191-166(203)234)293-112(97)62-278-323(253,254)308-98-36-128(204-51-81(9)149(220)192-167(204)235)294-113(98)63-279-324(255,256)309-99-37-129(205-52-82(10)150(221)193-168(205)236)295-114(99)64-280-325(257,258)310-100-38-130(206-53-83(11)151(222)194-169(206)237)296-115(100)65-281-327(261,262)312-102-40-132(208-70-175-135-138(208)178-156(172)181-153(135)224)299-117(102)67-283-329(265,266)314-104-42-134(210-72-177-137-140(210)180-158(174)183-155(137)226)300-118(104)68-284-328(263,264)313-103-41-133(209-71-176-136-139(209)179-157(173)182-154(136)225)298-116(103)66-282-326(259,260)311-101-39-131(207-54-84(12)152(223)195-170(207)238)297-119(101)69-285-330(267,268)315-171(85-18-16-15-17-19-85,86-20-24-88(269-13)25-21-86)87-22-26-89(270-14)27-23-87/h15-27,43-54,70-72,90-134,211H,28-42,55-69H2,1-14H3,(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(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,184,212,227)(H,185,213,228)(H,186,214,229)(H,187,215,230)(H,188,216,231)(H,189,217,232)(H,190,218,233)(H,191,219,234)(H,192,220,235)(H,193,221,236)(H,194,222,237)(H,195,223,238)(H3,172,178,181,224)(H3,173,179,182,225)(H3,174,180,183,226)
- InChIKey
- URXIXEUFOVKNRR-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-[[[bis(4-methoxyphenyl)-phenylmethoxy]-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-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-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]+ | 4956.8583 | 312.9 |
[M+Na]+ | 4978.8402 | 313.0 |
[M-H]- | 4954.8437 | 313.0 |
[M+NH4]+ | 4973.8848 | 312.9 |
[M+K]+ | 4994.8142 | 312.8 |
[M+H-H2O]+ | 4938.8483 | 312.7 |
[M+HCOO]- | 5000.8492 | 312.9 |
[M+CH3COO]- | 5014.8649 | 312.8 |
[M+Na-2H]- | 4976.8257 | 313.0 |
[M]+ | 4955.8505 | 313.0 |
[M]- | 4955.8515 | 313.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.