Desmeninol calciumProduct ingredient for Desmeninol
- Name
- Desmeninol calcium
- Drug Entry
- Desmeninol
- Accession Number
- DBSALT003029
- Structure
Structure for Desmeninol calcium (DBSALT003029)
- Synonyms
- 2-Hydroxy-4-(methylthio)butanoic acid calcium salt / Calcium-DL-2-hydroxy-4-(methylthio)-butyric acid / DL-Methioninehydroxyanalog calcium / Methionine hydroxy analogue calcium salt / Methioninehydroxyanalog calcium
- UNII
- 1VK0YS654L
- CAS Number
- 4857-44-7
- Weight
- Average: 338.45
Monoisotopic: 338.0170715 - Chemical Formula
- C10H18CaO6S2
- InChI Key
- ABRVDWASZFDIEH-UHFFFAOYSA-L
- InChI
- InChI=1S/2C5H10O3S.Ca/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2
- IUPAC Name
- calcium bis(2-hydroxy-4-(methylsulfanyl)butanoate)
- SMILES
- [Ca++].CSCCC(O)C([O-])=O.CSCCC(O)C([O-])=O
- External Links
- ChemSpider
- 96607
- Predicted Properties
Property Value Source Water Solubility 0.784 mg/mL ALOGPS logP 0.68 ALOGPS logP 0.18 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 4.03 Chemaxon pKa (Strongest Basic) -3.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 60.36 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 46.77 m3·mol-1 Chemaxon Polarizability 14.63 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon