![#9;6-Tert.-butoxycarbonylamino-hexanoic-acid-3-[[2-[3-[2-[2-[2-(2-aminoethoxy)-ethoxy]-ethoxy]-ethoxy]-propionylamino]-ethoxy]-hydroxy-phosphoryloxy)-2-](/api/spectrum/1W6WxtiN7jZ/structure.png?h=300&w=458 "#9;6-Tert.-butoxycarbonylamino-hexanoic-acid-3-[[2-[3-[2-[2-[2-(2-aminoethoxy)-ethoxy]-ethoxy]-ethoxy]-propionylamino]-ethoxy]-hydroxy-phosphoryloxy)-2-")
| SpectraBase Compound ID | 1Bmmwc1LSI |
|---|---|
| InChI | InChI=1S/C33H68N3O14PSi/c1-32(2,3)49-31(39)36-15-11-9-10-12-30(38)46-26-28(50-52(7,8)33(4,5)6)27-48-51(40,41)47-19-16-35-29(37)13-17-42-20-22-44-24-25-45-23-21-43-18-14-34/h28H,9-27,34H2,1-8H3,(H,35,37)(H,36,39)(H,40,41)/t28-/m1/s1 |
| InChIKey | DENPXLQMMYDFOP-MUUNZHRXSA-N |
| Mol Weight | 790.0 g/mol |
| Molecular Formula | C33H68N3O14PSi |
| Exact Mass | 789.420817 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1W6WxtiN7jZ |
|---|---|
| Name | #9;6-Tert.-butoxycarbonylamino-hexanoic-acid-3-[[2-[3-[2-[2-[2-(2-aminoethoxy)-ethoxy]-ethoxy]-ethoxy]-propionylamino]-ethoxy]-hydroxy-phosphoryloxy)-2- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 789.420817401 u |
| Formula | C33H68N3O14PSi |
| InChI | InChI=1S/C33H68N3O14PSi/c1-32(2,3)49-31(39)36-15-11-9-10-12-30(38)46-26-28(50-52(7,8)33(4,5)6)27-48-51(40,41)47-19-16-35-29(37)13-17-42-20-22-44-24-25-45-23-21-43-18-14-34/h28H,9-27,34H2,1-8H3,(H,35,37)(H,36,39)(H,40,41)/t28-/m1/s1 |
| InChIKey | DENPXLQMMYDFOP-MUUNZHRXSA-N |
| Molecular Weight | 789.973 g/mol |
| Nominal Mass | 789 u |
| SMILES | C(N)COCCOCCOCCOCCC(=O)NCCOP(=O)(O)OC[C@](O[Si](C)(C)C(C)(C)C)(COC(=O)CCCCCNC(=O)OC(C)(C)C)[H] |