CID 16130459
C c c c c c c c c c c c, phosphodiester
Structural Information
- Molecular Formula
- C108H145N36O70P11
- SMILES
- C1C(C(OC1N2C=CC(=NC2=O)N)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=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C108H145N36O70P11/c109-73-1-13-133(97(147)121-73)85-25-49(146)62(193-85)38-181-215(159,160)205-51-27-87(135-15-3-75(111)123-99(135)149)195-64(51)40-183-217(163,164)207-53-29-89(137-17-5-77(113)125-101(137)151)197-66(53)42-185-219(167,168)209-55-31-91(139-19-7-79(115)127-103(139)153)199-68(55)44-187-221(171,172)211-57-33-93(141-21-9-81(117)129-105(141)155)201-70(57)46-189-223(175,176)213-59-35-95(143-23-11-83(119)131-107(143)157)203-72(59)48-191-225(179,180)214-60-36-96(144-24-12-84(120)132-108(144)158)202-71(60)47-190-224(177,178)212-58-34-94(142-22-10-82(118)130-106(142)156)200-69(58)45-188-222(173,174)210-56-32-92(140-20-8-80(116)128-104(140)154)198-67(56)43-186-220(169,170)208-54-30-90(138-18-6-78(114)126-102(138)152)196-65(54)41-184-218(165,166)206-52-28-88(136-16-4-76(112)124-100(136)150)194-63(52)39-182-216(161,162)204-50-26-86(192-61(50)37-145)134-14-2-74(110)122-98(134)148/h1-24,49-72,85-96,145-146H,25-48H2,(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,177,178)(H,179,180)(H2,109,121,147)(H2,110,122,148)(H2,111,123,149)(H2,112,124,150)(H2,113,125,151)(H2,114,126,152)(H2,115,127,153)(H2,116,128,154)(H2,117,129,155)(H2,118,130,156)(H2,119,131,157)(H2,120,132,158)
- InChIKey
- LLZSAOYFAGOUAM-UHFFFAOYSA-N
- Compound name
- [5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 3407.6079 | 298.7 |
| [M+Na]+ | 3429.5898 | 302.5 |
| [M-H]- | 3405.5933 | 301.2 |
| [M+NH4]+ | 3424.6344 | 300.2 |
| [M+K]+ | 3445.5638 | 299.9 |
| [M+H-H2O]+ | 3389.5979 | 297.3 |
| [M+HCOO]- | 3451.5988 | 300.2 |
| [M+CH3COO]- | 3465.6145 | 300.5 |
| [M+Na-2H]- | 3427.5753 | 307.6 |
| [M]+ | 3406.6001 | 298.5 |
| [M]- | 3406.6011 | 298.5 |
Literature stripe
Patent stripe
No patent data available for this compound.