Agnuside
- Product NameAgnuside
- CAS11027-63-7
- CBNumberCB2737818
- MFC22H26O11
- MW466.44
- MDL NumberMFCD21333314
- MOL File11027-63-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 146℃ |
| Boiling point | 785.5±60.0 °C(Predicted) |
| Density | 1.59±0.1 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | DMSO, Methanol |
| pka | 8.14±0.15(Predicted) |
| form | Solid |
| color | Yellow |
| optical activity | [α]/D -98.0±5°, c = 0.1 in ethanol |
| BRN | 4925795 |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChIKey | GLACGTLACKLUJX-QNAXTHAFSA-N |
| SMILES | [C@]12([H])C(COC(=O)C3=CC=C(O)C=C3)=C[C@H](O)[C@@]1([H])C=CO[C@@H]2O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O |&1:0,15,17,22,24,25,27,28,30,r| |
| LogP | -1.240 (est) |
| FDA UNII | JB24Q0OT9G |
| UNSPSC Code | 85151701 |
| NACRES | NA.25 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302 | |||||||||
| Precautionary statements | P301+P312+P330 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36 | |||||||||
| Safety Statements | 26 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29329990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral | |||||||||
| NFPA 704: |
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