D-Ergothioneine
(2R)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate
Also Known As: Thioneine|Sympectothion|Thiasine|Thiotane|D-Ergothioneine|(R)-Ergothioneine|2-Mercapto-histidine|L-(+)-Ergothioneine|2-Mercaptohistidine Betaine|2-Mercapto-N,N-dimethylhistidine Methyl Ester Betaine|(2R)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate|(R)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate|(|AS)-|A-Carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-1H-imidazole-4-ethanaminium Inner Salt
| Molecular Formula | C9H15N3O2S |
|---|---|
| Molecular Weight | 229.0885 g/mol |
| LogP | -0.56051 |
| Topological Polar Surface Area | 71.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.0885 |
| Monoisotopic Mass | 229.0885 |
| Heavy Atoms | 15 |
| Complexity | 401.98022 |
Chemical Identifiers
| CAS Number | 497-30-3 |
|---|---|
| SMILES | C[N+](C)(C)[C@H](CC1=CNC(=S)N1)C(=O)[O-] |
Product Overview
D-Ergothioneine (CAS 497-30-3), with molecular formula C9H15N3O2S and molecular weight 229.0885 g/mol. IUPAC: (2R)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate.
D-Ergothioneine is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »