99016-42-9
Product Name:
D-Alaninamide, L-.alpha.-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, hydrate (2:5)
Formula:
C14H25N3O4S?2.5H2O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Crystalline powder |
|---|---|
| Taste | Intensely sweet |
| Melting Point | 100 °C |
| Solubility | In water, approximately 130 g/L at pH 5.0 and room temperature; solubility increases at higher and lower pH, and higher temperature |
| Stability/Shelf Life | Alitame is stable in dry, room temperature conditions but undergoes degradation at elevated temperatures or when in solution at low pH. Alitame can degrade in a one-stage process to aspartic acid and alanine amide (under harsh conditions) or in a slow two-stage process by first degrading to its beta-aspartic isomer and then to aspartic acid and alanine amide. |
| Other Experimental Properties | Solidifies at 102 °C, and starts decomposing at 136-137 °C |
COMPUTED DESCRIPTORS
| Molecular Weight | 752.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 12 |
| Exact Mass | 752.36597834 g/mol |
| Monoisotopic Mass | 752.36597834 g/mol |
| Topological Polar Surface Area | 299 Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 465 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 7 |
| Compound Is Canonicalized | Yes |