CID 16186193
5'-d(ctgtaccg)-3'
Structural Information
- Molecular Formula
- C77H99N28O47P7
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3CO)N4C=CC(=NC4=O)N)OP(=O)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=C(C(=O)NC9=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C77H99N28O47P7/c1-31-17-101(76(115)96-67(31)108)56-13-37(45(142-56)23-132-154(119,120)146-34-10-53(138-41(34)19-106)98-6-3-49(78)89-73(98)112)149-157(125,126)137-26-48-40(16-59(145-48)105-30-88-62-66(105)93-72(83)95-70(62)111)152-159(129,130)135-24-46-38(14-57(143-46)102-18-32(2)68(109)97-77(102)116)150-156(123,124)136-25-47-39(15-58(144-47)103-28-86-60-63(81)84-27-85-64(60)103)151-158(127,128)134-22-44-36(12-55(141-44)100-8-5-51(80)91-75(100)114)148-155(121,122)133-21-43-35(11-54(140-43)99-7-4-50(79)90-74(99)113)147-153(117,118)131-20-42-33(107)9-52(139-42)104-29-87-61-65(104)92-71(82)94-69(61)110/h3-8,17-18,27-30,33-48,52-59,106-107H,9-16,19-26H2,1-2H3,(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H2,78,89,112)(H2,79,90,113)(H2,80,91,114)(H2,81,84,85)(H,96,108,115)(H,97,109,116)(H3,82,92,94,110)(H3,83,93,95,111)
- InChIKey
- QOEIKUMOZFWCET-UHFFFAOYSA-N
- Compound name
- [3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 2385.4453 | 255.3 |
| [M+Na]+ | 2407.4272 | 264.4 |
| [M-H]- | 2383.4307 | 257.7 |
| [M+NH4]+ | 2402.4718 | 258.7 |
| [M+K]+ | 2423.4012 | 261.0 |
| [M+H-H2O]+ | 2367.4353 | 254.7 |
| [M+HCOO]- | 2429.4362 | 259.3 |
| [M+CH3COO]- | 2443.4519 | 260.7 |
| [M+Na-2H]- | 2405.4127 | 267.9 |
| [M]+ | 2384.4375 | 258.6 |
| [M]- | 2384.4385 | 258.6 |
Literature stripe
Patent stripe
No patent data available for this compound.