CID 16197658
Dmtr-tgggatttttttttt-3'
Structural Information
- Molecular Formula
- C171H211N42O103P15
- 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=NC2=C(N=CN=C21)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)O
- InChI
- InChI=1S/C171H211N42O103P15/c1-73-42-199(160(229)188-143(73)215)119-27-89(214)104(287-119)53-272-317(240,241)302-90-28-120(200-43-74(2)144(216)189-161(200)230)288-105(90)54-273-318(242,243)303-91-29-121(201-44-75(3)145(217)190-162(201)231)289-106(91)55-274-319(244,245)304-92-30-122(202-45-76(4)146(218)191-163(202)232)290-107(92)56-275-320(246,247)305-93-31-123(203-46-77(5)147(219)192-164(203)233)291-108(93)57-276-321(248,249)306-94-32-124(204-47-78(6)148(220)193-165(204)234)292-109(94)58-277-322(250,251)307-95-33-125(205-48-79(7)149(221)194-166(205)235)293-110(95)59-278-323(252,253)308-96-34-126(206-49-80(8)150(222)195-167(206)236)294-111(96)60-279-324(254,255)309-97-35-127(207-50-81(9)151(223)196-168(207)237)295-112(97)61-280-325(256,257)310-98-36-128(208-51-82(10)152(224)197-169(208)238)296-113(98)62-281-327(260,261)312-100-38-130(210-69-178-134-138(172)176-68-177-139(134)210)298-114(100)63-282-328(262,263)313-102-40-132(212-71-180-136-141(212)183-158(174)186-155(136)227)300-116(102)65-284-330(266,267)315-103-41-133(213-72-181-137-142(213)184-159(175)187-156(137)228)301-117(103)66-285-329(264,265)314-101-39-131(211-70-179-135-140(211)182-157(173)185-154(135)226)299-115(101)64-283-326(258,259)311-99-37-129(209-52-83(11)153(225)198-170(209)239)297-118(99)67-286-331(268,269)316-171(84-17-15-14-16-18-84,85-19-23-87(270-12)24-20-85)86-21-25-88(271-13)26-22-86/h14-26,42-52,68-72,89-133,214H,27-41,53-67H2,1-13H3,(H,240,241)(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)(H2,172,176,177)(H,188,215,229)(H,189,216,230)(H,190,217,231)(H,191,218,232)(H,192,219,233)(H,193,220,234)(H,194,221,235)(H,195,222,236)(H,196,223,237)(H,197,224,238)(H,198,225,239)(H3,173,182,185,226)(H3,174,183,186,227)(H3,175,184,187,228)
- InChIKey
- SSQDBQJCXXHWKC-UHFFFAOYSA-N
- Compound name
- [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-[[5-(6-aminopurin-9-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]oxyoxolan-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]methyl [bis(4-methoxyphenyl)-phenylmethyl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4965.8703 | 312.4 |
[M+Na]+ | 4987.8522 | 312.5 |
[M-H]- | 4963.8557 | 312.4 |
[M+NH4]+ | 4982.8968 | 312.4 |
[M+K]+ | 5003.8262 | 312.3 |
[M+H-H2O]+ | 4947.8603 | 312.2 |
[M+HCOO]- | 5009.8612 | 312.4 |
[M+CH3COO]- | 5023.8769 | 312.4 |
[M+Na-2H]- | 4985.8377 | 312.5 |
[M]+ | 4964.8625 | 312.5 |
[M]- | 4964.8635 | 312.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.