N-Acetyl-β-neuraminic acid methyl ester monohydrate
- Product NameN-Acetyl-β-neuraminic acid methyl ester monohydrate
- CAS50998-13-5
- CBNumberCB4281603
- MFC12H21NO9
- MW323.3
- EINECS604-604-1
- MDL NumberMFCD00214229
- MOL File50998-13-5.mol
Chemical Properties
| Melting point: | 193.5-194.5 |
| storage temp. | −20°C |
| solubility | Methanol |
| form | Solid |
| color | White to Off-White |
| InChI | InChI=1S/C12H21NO9.H2O/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14;/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15);1H2/t6-,7+,8+,9+,10+,12-;/m0./s1 |
| InChIKey | UIUNVNKHJXXRLV-JYMIJESRSA-N |
| SMILES | C(OC)(=O)[C@@]1(C[C@H](O)[C@@H](NC(=O)C)[C@H]([C@@H]([C@@H](CO)O)O)O1)O.[H]O[H] |
| CAS DataBase Reference | 50998-13-5(CAS DataBase Reference) |
Safety
| Hazard Codes | Xi |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 2938909090 |