| SpectraBase Compound ID | C7F8uZko9DA |
|---|---|
| InChI | InChI=1S/C41H43NO12P2/c43-40(29-17-6-18-30-42-41(44)48-31-34-19-7-1-8-20-34)47-32-39(54-56(46,52-37-25-13-4-14-26-37)53-38-27-15-5-16-28-38)33-49-55(45,50-35-21-9-2-10-22-35)51-36-23-11-3-12-24-36/h1-5,7-16,19-28,39H,6,17-18,29-33H2,(H,42,44) |
| InChIKey | MJTUSUQTHBCTKY-UHFFFAOYSA-N |
| Mol Weight | 803.7 g/mol |
| Molecular Formula | C41H43NO12P2 |
| Exact Mass | 803.22605 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bvjO6A5TPL |
|---|---|
| Name | rac-1-o-(N-Benzyloxycarbonyl-6-aminohexanoyl)-2,3-bis(diphenylphospho)glycerol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 803.226049813 u |
| Formula | C41H43NO12P2 |
| InChI | InChI=1S/C41H43NO12P2/c43-40(29-17-6-18-30-42-41(44)48-31-34-19-7-1-8-20-34)47-32-39(54-56(46,52-37-25-13-4-14-26-37)53-38-27-15-5-16-28-38)33-49-55(45,50-35-21-9-2-10-22-35)51-36-23-11-3-12-24-36/h1-5,7-16,19-28,39H,6,17-18,29-33H2,(H,42,44) |
| InChIKey | MJTUSUQTHBCTKY-UHFFFAOYSA-N |
| Molecular Weight | 803.738 g/mol |
| SMILES | N(C(OCc1ccccc1)=O)CCCCCC(OCC(OP(Oc1ccccc1)(=O)Oc1ccccc1)COP(Oc1ccccc1)(=O)Oc1ccccc1)=O |