CID 16204594
A* a* c a* c a* a* a* (phosphorothioate)
Structural Information
- Molecular Formula
- C78H98N36O36P8S7
- SMILES
- C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=O)(OC1CC(OC1COP(=O)(O)O)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C78H98N36O36P8S7/c79-49-1-3-107(77(116)105-49)52-6-34(44(138-52)16-131-157(126,164)149-39-11-57(113-31-103-63-69(85)91-25-97-75(63)113)143-48(39)20-134-155(124,162)146-36-8-54(139-42(36)14-128-151(118,119)120)110-28-100-60-66(82)88-22-94-72(60)110)144-153(122,160)132-18-46-38(10-56(141-46)112-30-102-62-68(84)90-24-96-74(62)112)148-156(125,163)130-15-43-35(7-53(137-43)108-4-2-50(80)106-78(108)117)145-154(123,161)133-19-47-40(12-58(142-47)114-32-104-64-70(86)92-26-98-76(64)114)150-158(127,165)135-17-45-37(9-55(140-45)111-29-101-61-67(83)89-23-95-73(61)111)147-152(121,159)129-13-41-33(115)5-51(136-41)109-27-99-59-65(81)87-21-93-71(59)109/h1-4,21-48,51-58,115H,5-20H2,(H,121,159)(H,122,160)(H,123,161)(H,124,162)(H,125,163)(H,126,164)(H,127,165)(H2,79,105,116)(H2,80,106,117)(H2,81,87,93)(H2,82,88,94)(H2,83,89,95)(H2,84,90,96)(H2,85,91,97)(H2,86,92,98)(H2,118,119,120)
- InChIKey
- GTFINBYJNRIZSL-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2587.2963 | 275.1 |
[M+Na]+ | 2609.2782 | 282.4 |
[M-H]- | 2585.2817 | 274.9 |
[M+NH4]+ | 2604.3228 | 277.7 |
[M+K]+ | 2625.2522 | 279.5 |
[M+H-H2O]+ | 2569.2863 | 276.1 |
[M+HCOO]- | 2631.2872 | 278.1 |
[M+CH3COO]- | 2645.3029 | 278.9 |
[M+Na-2H]- | 2607.2637 | 281.5 |
[M]+ | 2586.2885 | 283.0 |
[M]- | 2586.2895 | 283.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.