CID 15955857
[[[[(2r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid
Structural Information
- Molecular Formula
- C9H14F2N3O10P3S2
- SMILES
- C1[C@H](O[C@H](S1)COP(=S)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)N2C=CC(=NC2=O)N
- InChI
- InChI=1S/C9H14F2N3O10P3S2/c10-9(11,25(16,17)18)26(19,20)24-27(21,28)22-3-7-23-6(4-29-7)14-2-1-5(12)13-8(14)15/h1-2,6-7H,3-4H2,(H,19,20)(H,21,28)(H2,12,13,15)(H2,16,17,18)/t6-,7+,27?/m0/s1
- InChIKey
- JZHAZHJSEBANBF-IVZKIYRISA-N
- Compound name
- [[[[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 519.93748 | 187.6 |
[M+Na]+ | 541.91942 | 187.8 |
[M-H]- | 517.92292 | 180.1 |
[M+NH4]+ | 536.96402 | 188.6 |
[M+K]+ | 557.89336 | 188.4 |
[M+H-H2O]+ | 501.92746 | 172.7 |
[M+HCOO]- | 563.92840 | 203.5 |
[M+CH3COO]- | 577.94405 | 228.0 |
[M+Na-2H]- | 539.90487 | 191.6 |
[M]+ | 518.92965 | 185.0 |
[M]- | 518.93075 | 185.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.