CID 46174038
Dtdp-4-dehydro-2,3,6-trideoxy-alpha-d-hexopyranose
Structural Information
- Molecular Formula
- C16H24N2O13P2
- SMILES
- C[C@@H]1C(=O)CC[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O
- InChI
- InChI=1S/C16H24N2O13P2/c1-8-6-18(16(22)17-15(8)21)13-5-11(20)12(29-13)7-27-32(23,24)31-33(25,26)30-14-4-3-10(19)9(2)28-14/h6,9,11-14,20H,3-5,7H2,1-2H3,(H,23,24)(H,25,26)(H,17,21,22)/t9-,11+,12-,13-,14-/m1/s1
- InChIKey
- YINKRXMSCURQIS-RHZHCTOVSA-N
- Compound name
- [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2R,6R)-6-methyl-5-oxooxan-2-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 515.08268 | 202.4 |
[M+Na]+ | 537.06462 | 204.2 |
[M-H]- | 513.06812 | 203.4 |
[M+NH4]+ | 532.10922 | 202.0 |
[M+K]+ | 553.03856 | 208.3 |
[M+H-H2O]+ | 497.07266 | 190.3 |
[M+HCOO]- | 559.07360 | 219.5 |
[M+CH3COO]- | 573.08925 | 234.4 |
[M+Na-2H]- | 535.05007 | 211.5 |
[M]+ | 514.07485 | 205.4 |
[M]- | 514.07595 | 205.4 |
Literature stripe
Patent stripe
No patent data available for this compound.