CID 16197660
Dmtr-tggtttttttttttt-3'
Structural Information
- Molecular Formula
- C171H213N36O106P15
- 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=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)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C171H213N36O106P15/c1-74-44-193(158(224)180-141(74)209)122-29-92(208)107(284-122)57-269-314(237,238)299-93-30-123(194-45-75(2)142(210)181-159(194)225)285-108(93)58-270-315(239,240)300-94-31-124(195-46-76(3)143(211)182-160(195)226)286-109(94)59-271-316(241,242)301-95-32-125(196-47-77(4)144(212)183-161(196)227)287-110(95)60-272-317(243,244)302-96-33-126(197-48-78(5)145(213)184-162(197)228)288-111(96)61-273-318(245,246)303-97-34-127(198-49-79(6)146(214)185-163(198)229)289-112(97)62-274-319(247,248)304-98-35-128(199-50-80(7)147(215)186-164(199)230)290-113(98)63-275-320(249,250)305-99-36-129(200-51-81(8)148(216)187-165(200)231)291-114(99)64-276-321(251,252)306-100-37-130(201-52-82(9)149(217)188-166(201)232)292-115(100)65-277-322(253,254)307-101-38-131(202-53-83(10)150(218)189-167(202)233)293-116(101)66-278-323(255,256)308-102-39-132(203-54-84(11)151(219)190-168(203)234)294-117(102)67-279-324(257,258)309-103-40-133(204-55-85(12)152(220)191-169(204)235)295-118(103)68-280-326(261,262)311-105-42-135(206-72-174-137-139(206)176-156(172)178-154(137)222)298-120(105)70-282-327(263,264)312-106-43-136(207-73-175-138-140(207)177-157(173)179-155(138)223)297-119(106)69-281-325(259,260)310-104-41-134(205-56-86(13)153(221)192-170(205)236)296-121(104)71-283-328(265,266)313-171(87-19-17-16-18-20-87,88-21-25-90(267-14)26-22-88)89-23-27-91(268-15)28-24-89/h16-28,44-56,72-73,92-136,208H,29-43,57-71H2,1-15H3,(H,237,238)(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,180,209,224)(H,181,210,225)(H,182,211,226)(H,183,212,227)(H,184,213,228)(H,185,214,229)(H,186,215,230)(H,187,216,231)(H,188,217,232)(H,189,218,233)(H,190,219,234)(H,191,220,235)(H,192,221,236)(H3,172,176,178,222)(H3,173,177,179,223)
- InChIKey
- MLOBCPLYGPEXDA-UHFFFAOYSA-N
- Compound name
- [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] [3-[hydroxy-[[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]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]+ | 4931.8520 | 313.4 |
[M+Na]+ | 4953.8339 | 313.6 |
[M-H]- | 4929.8374 | 313.5 |
[M+NH4]+ | 4948.8785 | 313.5 |
[M+K]+ | 4969.8079 | 313.4 |
[M+H-H2O]+ | 4913.8420 | 313.2 |
[M+HCOO]- | 4975.8429 | 313.4 |
[M+CH3COO]- | 4989.8586 | 313.4 |
[M+Na-2H]- | 4951.8194 | 313.6 |
[M]+ | 4930.8442 | 313.6 |
[M]- | 4930.8452 | 313.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.