CID 86574708
5'-ccccctt-3'
Structural Information
- Molecular Formula
- C65H88N19O45P7
- 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)O)N9C=CC(=NC9=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C65H88N19O45P7/c1-29-20-83(64(93)76-57(29)86)50-13-31(85)38(117-50)22-111-131(98,99)129-37-19-56(84-21-30(2)58(87)77-65(84)94)123-44(37)28-116-136(108,109)128-36-18-55(82-12-7-49(70)75-63(82)92)122-43(36)27-115-135(106,107)127-35-17-54(81-11-6-48(69)74-62(81)91)121-42(35)26-114-134(104,105)126-34-16-53(80-10-5-47(68)73-61(80)90)120-41(34)25-113-133(102,103)125-33-15-52(79-9-4-46(67)72-60(79)89)119-40(33)24-112-132(100,101)124-32-14-51(78-8-3-45(66)71-59(78)88)118-39(32)23-110-130(95,96)97/h3-12,20-21,31-44,50-56,85H,13-19,22-28H2,1-2H3,(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H2,66,71,88)(H2,67,72,89)(H2,68,73,90)(H2,69,74,91)(H2,70,75,92)(H,76,86,93)(H,77,87,94)(H2,95,96,97)
- InChIKey
- ZDLHZYMKBIJABH-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-(phosphonooxymethyl)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] [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]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2072.3418 | 288.9 |
[M+Na]+ | 2094.3237 | 299.2 |
[M-H]- | 2070.3272 | 296.7 |
[M+NH4]+ | 2089.3683 | 293.2 |
[M+K]+ | 2110.2977 | 294.6 |
[M+H-H2O]+ | 2054.3318 | 286.6 |
[M+HCOO]- | 2116.3327 | 293.1 |
[M+CH3COO]- | 2130.3484 | 293.9 |
[M+Na-2H]- | 2092.3092 | 305.1 |
[M]+ | 2071.3340 | 285.3 |
[M]- | 2071.3350 | 285.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.