![o-1-[(2S)-Hydroxypropyl]-1-myo-inositol-phosphate](/api/spectrum/BOAKXAl10Bp/structure.png?h=300&w=458 "o-1-[(2S)-Hydroxypropyl]-1-myo-inositol-phosphate")
| SpectraBase Compound ID | 6mitgd5GPSj |
|---|---|
| InChI | InChI=1S/C9H19O10P/c1-3(10)2-18-20(16,17)19-9-7(14)5(12)4(11)6(13)8(9)15/h3-15H,2H2,1H3,(H,16,17)/t3-,4-,5-,6+,7+,8+,9-/m0/s1 |
| InChIKey | RWZRMLYARYCZJA-HVVSXIBASA-N |
| Mol Weight | 318.21 g/mol |
| Molecular Formula | C9H19O10P |
| Exact Mass | 318.071584 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOAKXAl10Bp |
|---|---|
| Name | o-1-[(2S)-Hydroxypropyl]-1-myo-inositol-phosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.071583800 u |
| Formula | C9H19O10P |
| InChI | InChI=1S/C9H19O10P/c1-3(10)2-18-20(16,17)19-9-7(14)5(12)4(11)6(13)8(9)15/h3-15H,2H2,1H3,(H,16,17)/t3-,4-,5-,6+,7+,8+,9-/m0/s1 |
| InChIKey | RWZRMLYARYCZJA-HVVSXIBASA-N |
| Molecular Weight | 318.215 g/mol |
| Nominal Mass | 318 u |
| SMILES | [C@@]1(O)([C@@](O)([C@]([C@](O)([C@@](O)([C@@]1(O)[H])[H])[H])(OP(=O)(O)OC[C@@](O)(C)[H])[H])[H])[H] |