CID 16197666
Dmtr-tgtgtgtatgttttt-3'
Structural Information
- Molecular Formula
- C171H210N45O102P15
- 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=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)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)O
- InChI
- InChI=1S/C171H210N45O102P15/c1-72-41-202(161(232)192-143(72)218)117-26-87(217)102(289-117)51-274-319(242,243)304-88-27-118(203-42-73(2)144(219)193-162(203)233)290-103(88)52-275-320(244,245)305-89-28-119(204-43-74(3)145(220)194-163(204)234)291-104(89)53-276-321(246,247)306-90-29-120(205-44-75(4)146(221)195-164(205)235)292-105(90)54-277-322(248,249)307-91-30-121(206-45-76(5)147(222)196-165(206)236)294-107(91)56-279-329(262,263)314-98-37-128(213-68-180-133-139(213)184-157(173)188-153(133)228)300-112(98)61-284-324(252,253)309-93-32-123(208-47-78(7)149(224)198-167(208)238)293-106(93)55-278-328(260,261)313-97-36-127(212-67-179-132-137(172)177-66-178-138(132)212)299-111(97)60-283-323(250,251)308-92-31-122(207-46-77(6)148(223)197-166(207)237)295-108(92)57-280-330(264,265)315-99-38-129(214-69-181-134-140(214)185-158(174)189-154(134)229)301-113(99)62-285-325(254,255)310-94-33-124(209-48-79(8)150(225)199-168(209)239)296-109(94)58-281-331(266,267)316-100-39-130(215-70-182-135-141(215)186-159(175)190-155(135)230)302-114(100)63-286-326(256,257)311-95-34-125(210-49-80(9)151(226)200-169(210)240)297-110(95)59-282-332(268,269)317-101-40-131(216-71-183-136-142(216)187-160(176)191-156(136)231)303-115(101)64-287-327(258,259)312-96-35-126(211-50-81(10)152(227)201-170(211)241)298-116(96)65-288-333(270,271)318-171(82-16-14-13-15-17-82,83-18-22-85(272-11)23-19-83)84-20-24-86(273-12)25-21-84/h13-25,41-50,66-71,87-131,217H,26-40,51-65H2,1-12H3,(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H2,172,177,178)(H,192,218,232)(H,193,219,233)(H,194,220,234)(H,195,221,235)(H,196,222,236)(H,197,223,237)(H,198,224,238)(H,199,225,239)(H,200,226,240)(H,201,227,241)(H3,173,184,188,228)(H3,174,185,189,229)(H3,175,186,190,230)(H3,176,187,191,231)
- InChIKey
- UGTHPGYFARQHAT-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[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]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)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]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [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]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4990.8763 | 312.1 |
[M+Na]+ | 5012.8582 | 312.2 |
[M-H]- | 4988.8617 | 312.1 |
[M+NH4]+ | 5007.9028 | 312.1 |
[M+K]+ | 5028.8322 | 312.1 |
[M+H-H2O]+ | 4972.8663 | 312.0 |
[M+HCOO]- | 5034.8672 | 312.1 |
[M+CH3COO]- | 5048.8829 | 312.1 |
[M+Na-2H]- | 5010.8437 | 312.2 |
[M]+ | 4989.8685 | 312.2 |
[M]- | 4989.8695 | 312.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.