CID 16131506
Dgtgggtgggt
Structural Information
- Molecular Formula
- C100H125N41O64P10
- 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)O)N1C=NC2=C1N=C(NC2=O)N)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=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)O
- InChI
- InChI=1S/C100H125N41O64P10/c1-34-14-132(98(153)129-81(34)143)57-4-37(142)47(187-57)17-178-207(159,160)200-41-8-61(136-28-109-68-75(136)116-92(102)123-85(68)147)191-51(41)21-183-212(169,170)204-45-12-65(140-32-113-72-79(140)120-96(106)127-89(72)151)195-55(45)25-185-213(171,172)203-44-11-64(139-31-112-71-78(139)119-95(105)126-88(71)150)193-53(44)23-182-209(163,164)198-39-6-59(134-16-36(3)83(145)131-100(134)155)189-50(39)20-180-211(167,168)201-42-9-62(137-29-110-69-76(137)117-93(103)124-86(69)148)194-54(42)24-184-215(175,176)205-46-13-66(141-33-114-73-80(141)121-97(107)128-90(73)152)196-56(46)26-186-214(173,174)202-43-10-63(138-30-111-70-77(138)118-94(104)125-87(70)149)192-52(43)22-181-208(161,162)197-38-5-58(133-15-35(2)82(144)130-99(133)154)188-49(38)19-179-210(165,166)199-40-7-60(190-48(40)18-177-206(156,157)158)135-27-108-67-74(135)115-91(101)122-84(67)146/h14-16,27-33,37-66,142H,4-13,17-26H2,1-3H3,(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,173,174)(H,175,176)(H,129,143,153)(H,130,144,154)(H,131,145,155)(H2,156,157,158)(H3,101,115,122,146)(H3,102,116,123,147)(H3,103,117,124,148)(H3,104,118,125,149)(H3,105,119,126,150)(H3,106,120,127,151)(H3,107,121,128,152)
- InChIKey
- YGLNJNYQVLBJDP-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-hydroxy-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]+ | 3234.5237 | 294.4 |
[M+Na]+ | 3256.5056 | 296.7 |
[M-H]- | 3232.5091 | 294.7 |
[M+NH4]+ | 3251.5502 | 295.2 |
[M+K]+ | 3272.4796 | 295.4 |
[M+H-H2O]+ | 3216.5137 | 294.1 |
[M+HCOO]- | 3278.5146 | 295.5 |
[M+CH3COO]- | 3292.5303 | 295.8 |
[M+Na-2H]- | 3254.4911 | 298.7 |
[M]+ | 3233.5159 | 295.7 |
[M]- | 3233.5169 | 295.7 |
Literature stripe
Patent stripe
No patent data available for this compound.