D-Alaninamide, L-.alpha.-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, hydrate (2:5)
Modify Date: 2025-08-22 19:12:09
D-Alaninamide, L-.alpha.-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, hydrate (2:5) structure
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Common Name | D-Alaninamide, L-.alpha.-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, hydrate (2:5) | ||
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| CAS Number | 99016-42-9 | Molecular Weight | 752.93800 | |
| Density | N/A | Boiling Point | 608.5ºC at 760 mmHg | |
| Molecular Formula | C28H60N6O13S2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 321.8ºC | |
| Name | (3S)-3-amino-4-[[(1R)-1-methyl-2-oxo-2-[(2,2,4,4-tetramethylthiet an-3-yl)amino]ethyl]amino]-4-oxo-butanoic acid pentahydrate |
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| Boiling Point | 608.5ºC at 760 mmHg |
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| Molecular Formula | C28H60N6O13S2 |
| Molecular Weight | 752.93800 |
| Flash Point | 321.8ºC |
| Exact Mass | 752.36600 |
| PSA | 353.75000 |
| LogP | 4.60410 |
| InChIKey | NUFKRGBSZPCGQB-FLBSXDLDSA-N |
| SMILES | CC(NC(=O)C(N)CC(=O)O)C(=O)NC1C(C)(C)SC1(C)C.CC(NC(=O)C(N)CC(=O)O)C(=O)NC1C(C)(C)SC1(C)C.O.O.O.O.O |
| RIDADR | NONH for all modes of transport |
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