HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Acetyl-Hexosamine
2-Acetylamino-2-deoxy-D-mannose · aldehydo-N-acetyl-D-mannosamine · N-acetyl-D-mannosamine-[UL-13C6] · 2-(Acetylamino)-2-deoxy-D-mannose · D-Mannose, 2-(acetylamino)-2-deoxy- · N-Acetyl-D-mannosamine Monohydrate>2-acetamido-2-deoxy-D-mannose USP/EP/BP · N-Acetyl-D-mannosamine Monohydrate, ≥ 98.0% · Clofazimine Impurity 1(Clofazimine EP Impurity A)

Identifiers & Physical Properties
| CAS No. | 3615-17-6 |
|---|---|
| Molecular formula | C8H15NO6 |
| Average molar mass | 221.21 g/mol |
| Monoisotopic mass | 221.0899372 g/mol |
| SMILES | CC(=O)NC1C(O)OC(CO)C(O)C1O |
| InChIKey | OVRNDRQMDRJTHS-UHFFFAOYSA-N |
| PubChem CID | 899 |
| ChEMBL | CHEMBL1231391 |
| ChEBI | CHEBI:7203 |
| DTXSID | DTXSID80859634 |
Chemical & Physical Properties
| XLogP | -1.7 |
|---|---|
| Topological polar surface area | 119 |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 2 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 235 |
| Solubility | >33.2 [ug/mL] (The mean of the results at pH 7.4)Soluble (water) |
| Melting point | 205 °C |
| Boiling point | 636.4±55.0 °C(Predicted) |
| Density | 1.423±0.06 g/cm3(Predicted) |
| Storage conditions | Inert atmosphere,2-8°C |
| pKa (acidity coefficient) | 13.04±0.20(Predicted) |
| Physical state | powder to crystal |
| Color | White to Almost white |
| optical activity | -9.4 → +9.7 |
| InChI | InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1 |
| InChIKey | MBLBDJOUHNCFQT-WCTZXXKLSA-N |
| SMILES | [C@H](C=O)(NC(=O)C)[C@@H](O)[C@H](O)[C@H](O)CO |
| FDA UNII | X80PR7P73R |
| Customs code | 2940.00.6000 |
Safety & Regulations
| Customs code | 2940.00.6000 |
|---|
Applications & Uses
Uses
A derivative of D-Mannosamine (M167000).