CID 16186521
5'-dmtr-ttttttttttttttt-3'
Structural Information
- Molecular Formula
- C171H214N30O105P14
- SMILES
- CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)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)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C171H214N30O105P14/c1-76-46-187(156(218)172-141(76)203)126-31-96(202)111(278-126)62-264-307(233,234)294-98-33-128(189-48-78(3)143(205)174-158(189)220)280-113(98)64-266-309(237,238)296-100-35-130(191-50-80(5)145(207)176-160(191)222)282-115(100)66-268-311(241,242)298-102-37-132(193-52-82(7)147(209)178-162(193)224)284-117(102)68-270-313(245,246)300-104-39-134(195-54-84(9)149(211)180-164(195)226)286-119(104)70-272-315(249,250)302-106-41-136(197-56-86(11)151(213)182-166(197)228)288-121(106)72-274-317(253,254)304-108-43-138(199-58-88(13)153(215)184-168(199)230)290-123(108)74-276-319(257,258)306-110-45-140(201-60-90(15)155(217)186-170(201)232)292-125(110)75-277-320(259,260)305-109-44-139(200-59-89(14)154(216)185-169(200)231)291-124(109)73-275-318(255,256)303-107-42-137(198-57-87(12)152(214)183-167(198)229)289-122(107)71-273-316(251,252)301-105-40-135(196-55-85(10)150(212)181-165(196)227)287-120(105)69-271-314(247,248)299-103-38-133(194-53-83(8)148(210)179-163(194)225)285-118(103)67-269-312(243,244)297-101-36-131(192-51-81(6)146(208)177-161(192)223)283-116(101)65-267-310(239,240)295-99-34-129(190-49-79(4)144(206)175-159(190)221)281-114(99)63-265-308(235,236)293-97-32-127(188-47-77(2)142(204)173-157(188)219)279-112(97)61-263-171(91-21-19-18-20-22-91,92-23-27-94(261-16)28-24-92)93-25-29-95(262-17)30-26-93/h18-30,46-60,96-140,202H,31-45,61-75H2,1-17H3,(H,233,234)(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,172,203,218)(H,173,204,219)(H,174,205,220)(H,175,206,221)(H,176,207,222)(H,177,208,223)(H,178,209,224)(H,179,210,225)(H,180,211,226)(H,181,212,227)(H,182,213,228)(H,183,214,229)(H,184,215,230)(H,185,216,231)(H,186,217,232)/t96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+/m0/s1
- InChIKey
- RUQBMRUIJJAHKD-OETATJASSA-N
- Compound name
- [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-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]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]+ | 4801.8730 | 315.2 |
[M+Na]+ | 4823.8549 | 315.7 |
[M-H]- | 4799.8584 | 315.5 |
[M+NH4]+ | 4818.8995 | 315.4 |
[M+K]+ | 4839.8289 | 315.2 |
[M+H-H2O]+ | 4783.8630 | 314.8 |
[M+HCOO]- | 4845.8639 | 315.3 |
[M+CH3COO]- | 4859.8796 | 315.2 |
[M+Na-2H]- | 4821.8404 | 315.6 |
[M]+ | 4800.8652 | 315.6 |
[M]- | 4800.8662 | 315.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.