CID 16130460
.alpha.-dt12
Structural Information
- Molecular Formula
- C120H157N24O82P11
- 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(OC1CO)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/C120H157N24O82P11/c1-49-25-133(109(159)121-97(49)147)85-13-61(146)74(205-85)38-193-227(171,172)217-63-15-87(135-27-51(3)99(149)123-111(135)161)207-76(63)40-195-229(175,176)219-65-17-89(137-29-53(5)101(151)125-113(137)163)209-78(65)42-197-231(179,180)221-67-19-91(139-31-55(7)103(153)127-115(139)165)211-80(67)44-199-233(183,184)223-69-21-93(141-33-57(9)105(155)129-117(141)167)213-82(69)46-201-235(187,188)225-71-23-95(143-35-59(11)107(157)131-119(143)169)215-84(71)48-203-237(191,192)226-72-24-96(144-36-60(12)108(158)132-120(144)170)214-83(72)47-202-236(189,190)224-70-22-94(142-34-58(10)106(156)130-118(142)168)212-81(70)45-200-234(185,186)222-68-20-92(140-32-56(8)104(154)128-116(140)166)210-79(68)43-198-232(181,182)220-66-18-90(138-30-54(6)102(152)126-114(138)164)208-77(66)41-196-230(177,178)218-64-16-88(136-28-52(4)100(150)124-112(136)162)206-75(64)39-194-228(173,174)216-62-14-86(204-73(62)37-145)134-26-50(2)98(148)122-110(134)160/h25-36,61-96,145-146H,13-24,37-48H2,1-12H3,(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,121,147,159)(H,122,148,160)(H,123,149,161)(H,124,150,162)(H,125,151,163)(H,126,152,164)(H,127,153,165)(H,128,154,166)(H,129,155,167)(H,130,156,168)(H,131,157,169)(H,132,158,170)
- InChIKey
- JNFFNLBKOZTBJO-UHFFFAOYSA-N
- Compound name
- [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]methyl [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3587.6040 | 308.5 |
[M+Na]+ | 3609.5859 | 312.5 |
[M-H]- | 3585.5894 | 311.5 |
[M+NH4]+ | 3604.6305 | 310.2 |
[M+K]+ | 3625.5599 | 309.2 |
[M+H-H2O]+ | 3569.5940 | 307.2 |
[M+HCOO]- | 3631.5949 | 310.1 |
[M+CH3COO]- | 3645.6106 | 310.1 |
[M+Na-2H]- | 3607.5714 | 314.7 |
[M]+ | 3586.5962 | 309.9 |
[M]- | 3586.5972 | 309.9 |
Literature stripe
Patent stripe
No patent data available for this compound.