CID 16197662
Dmtr-tgttttttttttttt-3'
Structural Information
- Molecular Formula
- C171H214N33O107P15
- 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=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/C171H214N33O107P15/c1-75-45-190(157(221)176-141(75)206)124-30-94(205)109(282-124)59-267-312(235,236)297-95-31-125(191-46-76(2)142(207)177-158(191)222)283-110(95)60-268-313(237,238)298-96-32-126(192-47-77(3)143(208)178-159(192)223)284-111(96)61-269-314(239,240)299-97-33-127(193-48-78(4)144(209)179-160(193)224)285-112(97)62-270-315(241,242)300-98-34-128(194-49-79(5)145(210)180-161(194)225)286-113(98)63-271-316(243,244)301-99-35-129(195-50-80(6)146(211)181-162(195)226)287-114(99)64-272-317(245,246)302-100-36-130(196-51-81(7)147(212)182-163(196)227)288-115(100)65-273-318(247,248)303-101-37-131(197-52-82(8)148(213)183-164(197)228)289-116(101)66-274-319(249,250)304-102-38-132(198-53-83(9)149(214)184-165(198)229)290-117(102)67-275-320(251,252)305-103-39-133(199-54-84(10)150(215)185-166(199)230)291-118(103)68-276-321(253,254)306-104-40-134(200-55-85(11)151(216)186-167(200)231)292-119(104)69-277-322(255,256)307-105-41-135(201-56-86(12)152(217)187-168(201)232)293-120(105)70-278-323(257,258)308-106-42-136(202-57-87(13)153(218)188-169(202)233)294-121(106)71-279-325(261,262)310-108-44-138(204-74-173-139-140(204)174-156(172)175-155(139)220)296-122(108)72-280-324(259,260)309-107-43-137(203-58-88(14)154(219)189-170(203)234)295-123(107)73-281-326(263,264)311-171(89-20-18-17-19-21-89,90-22-26-92(265-15)27-23-90)91-24-28-93(266-16)29-25-91/h17-29,45-58,74,94-138,205H,30-44,59-73H2,1-16H3,(H,235,236)(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,176,206,221)(H,177,207,222)(H,178,208,223)(H,179,209,224)(H,180,210,225)(H,181,211,226)(H,182,212,227)(H,183,213,228)(H,184,214,229)(H,185,215,230)(H,186,216,231)(H,187,217,232)(H,188,218,233)(H,189,219,234)(H3,172,174,175,220)
- InChIKey
- OKGXJUNHHIYSGV-UHFFFAOYSA-N
- Compound name
- [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] [3-[hydroxy-[[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]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]+ | 4906.8457 | 314.1 |
[M+Na]+ | 4928.8276 | 314.4 |
[M-H]- | 4904.8311 | 314.3 |
[M+NH4]+ | 4923.8722 | 314.2 |
[M+K]+ | 4944.8016 | 314.0 |
[M+H-H2O]+ | 4888.8357 | 313.8 |
[M+HCOO]- | 4950.8366 | 314.1 |
[M+CH3COO]- | 4964.8523 | 314.1 |
[M+Na-2H]- | 4926.8131 | 314.3 |
[M]+ | 4905.8379 | 314.3 |
[M]- | 4905.8389 | 314.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.