CID 16133632
Dt10
Structural Information
- Molecular Formula
- C100H131N20O68P9
- 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(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)O
- InChI
- InChI=1S/C100H131N20O68P9/c1-41-21-111(91(133)101-81(41)123)71-11-51(122)62(171-71)32-161-189(143,144)181-53-13-73(113-23-43(3)83(125)103-93(113)135)173-64(53)34-163-191(147,148)183-55-15-75(115-25-45(5)85(127)105-95(115)137)175-66(55)36-165-193(151,152)185-57-17-77(117-27-47(7)87(129)107-97(117)139)177-68(57)38-167-195(155,156)187-59-19-79(119-29-49(9)89(131)109-99(119)141)179-70(59)40-169-197(159,160)188-60-20-80(120-30-50(10)90(132)110-100(120)142)178-69(60)39-168-196(157,158)186-58-18-78(118-28-48(8)88(130)108-98(118)140)176-67(58)37-166-194(153,154)184-56-16-76(116-26-46(6)86(128)106-96(116)138)174-65(56)35-164-192(149,150)182-54-14-74(114-24-44(4)84(126)104-94(114)136)172-63(54)33-162-190(145,146)180-52-12-72(170-61(52)31-121)112-22-42(2)82(124)102-92(112)134/h21-30,51-80,121-122H,11-20,31-40H2,1-10H3,(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,101,123,133)(H,102,124,134)(H,103,125,135)(H,104,126,136)(H,105,127,137)(H,106,128,138)(H,107,129,139)(H,108,130,140)(H,109,131,141)(H,110,132,142)
- InChIKey
- UTLVQENMPIUJSJ-UHFFFAOYSA-N
- Compound name
- [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]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]+ | 2979.5119 | 290.2 |
[M+Na]+ | 3001.4938 | 298.3 |
[M-H]- | 2977.4973 | 296.6 |
[M+NH4]+ | 2996.5384 | 293.9 |
[M+K]+ | 3017.4678 | 292.5 |
[M+H-H2O]+ | 2961.5019 | 289.5 |
[M+HCOO]- | 3023.5028 | 294.1 |
[M+CH3COO]- | 3037.5185 | 294.5 |
[M+Na-2H]- | 2999.4793 | 303.2 |
[M]+ | 2978.5041 | 292.2 |
[M]- | 2978.5051 | 292.2 |
Literature stripe
No literature data available for this compound.