81075-52-7
| Name | Danshensu Sodium Salt |
| CAS | 81075-52-7 |
| Molecular Formula | C9H11NaO5 |
| MDL Number | MFCD07781415 |
| Molecular Weight | 222.17 |
| MOL File | 81075-52-7.mol |
Chemical Properties
| Melting point | >230°C (dec.) |
| storage temp. | 2-8°C |
| solubility | H2O: soluble20mg/mL, clear |
| form | powder |
| color | white to beige |
| Optical Rotation | [α]/D +30 to +40°, c = 1 in H2O |
| Water Solubility | H2O: 20mg/mL, clear |
| Stability: | Hygroscopic |
| InChI | 1S/C9H10O5.Na/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14;/h1-3,8,10-12H,4H2,(H,13,14);/q;+1/p-1/t8-;/m1./s1 |
| InChIKey | ZMMKVDBZTXUHFO-DDWIOCJRSA-M |
| SMILES | OC1=C(O)C=CC(C[C@@H](O)C([O-])=O)=C1.[Na+] |