| SpectraBase Compound ID | B33pt6QeywC |
|---|---|
| InChI | InChI=1S/C20H29N4O12P/c1-6-8-31-37(29,32-9-7-2)36-20-17(23-16(28)10-22-24-21)19(34-14(5)27)18(33-13(4)26)15(35-20)11-30-12(3)25/h6-7,15,17-20H,1-2,8-11H2,3-5H3,(H,23,28)/t15-,17-,18-,19+,20+/m1/s1 |
| InChIKey | UOEJTDXRILKGCH-XLSIIYIISA-N |
| Mol Weight | 548.44 g/mol |
| Molecular Formula | C20H29N4O12P |
| Exact Mass | 548.151959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IKSF4VgU02a |
|---|---|
| Name | Diallyl-(3,4,6-tri-o-acetyl-2-azidoacetamido-2-deoxy-alpha-D-galactopyranosyl)-phosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 548.151959376 u |
| Formula | C20H29N4O12P |
| InChI | InChI=1S/C20H29N4O12P/c1-6-8-31-37(29,32-9-7-2)36-20-17(23-16(28)10-22-24-21)19(34-14(5)27)18(33-13(4)26)15(35-20)11-30-12(3)25/h6-7,15,17-20H,1-2,8-11H2,3-5H3,(H,23,28)/t15-,17-,18-,19+,20+/m1/s1 |
| InChIKey | UOEJTDXRILKGCH-XLSIIYIISA-N |
| Molecular Weight | 548.442 g/mol |
| SMILES | [C@@]1(O[C@@]([C@]([C@]([C@]1(NC(=O)CN=N#N)[H])(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])(OP(=O)(OCC=C)OCC=C)[H] |