HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2R)-2-azaniumyl-4-sulfanylbutanoate
(R)-2-Amino-4-mercaptobutanoic acid · D-Homocysteine · (2R)-2-amino-4-sulfanylbutanoicaci · (2R)-2-amino-4-sulfanyl-butanoic acid · Butyric acid, 2-aMino-4-Mercapto-, D- (8CI) · Vincamine Impurity 2( Vincamine EP Impurity B )
Identifiers & Physical Properties
| CAS No. | 6027-14-1 |
|---|---|
| Molecular formula | C4H9NO2S |
| Average molar mass | 135.19 g/mol |
| Monoisotopic mass | 135.0353997 g/mol |
| SMILES | [NH3+][C@H](CCS)C(=O)[O-] |
| InChIKey | FFFHZYDWPBMWHY-GSVOUGTGSA-N |
| PubChem CID | 6971069 |
Chemical & Physical Properties
| XLogP | -2.1 |
|---|---|
| Topological polar surface area | 68.8 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 80.6 |
| Boiling point | 299.7±35.0 °C(Predicted) |
| Density | 1.259±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Solubility | Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Very Slightly), Water (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 2.24±0.10(Predicted) |
| Color | White to Off-White |
| FDA UNII | X729OQK9H3 |
Applications & Uses
Uses
D-Homocysteine is a stereoisomer of L-Homocysteine (H591950) which is the hydrolysis product of adenosine (A280400), a purine nucleoside. Metabolic rate of L-Homocysteine is converted back to L-Methionine( M260440) via tetrahydrofolate.