| NACRES | NA.79 |
|---|---|
| PubChem Substance ID | 57647913 |
| eCl@ss | 34058012 |
| UNSPSC Code | 12352106 |
| EC Number | 205-278-9 |
| MDL number | MFCD00002766 |
| Beilstein/REAXYS Number | 3769272 |
| InChI key | FAPWYRCQGJNNSJ-UBKPKTQASA-L |
| InChI | 1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1 |
| SMILES string | CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O[Ca]OC(=O)CCNC(=O)[C@H](O)C(C)(C)CO |
| biological source | synthetic |
| assay | ≥98.0% |
| form | powder or crystals |
| optical activity | [α]20/D +27±2°, c = 5% in H2O |
| impurities | ≤0.002% heavy metals |
| loss | ≤3% loss on drying |
| color | white |
| pH | 6.8-7.2 (25 °C, 50 mg/mL in H2O) |
| solubility | H2O: 50 mg/mL at 25 °C, clear, almost colorless |
| Quality Level | 200 |
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