manganese(2+) ion bis(2-hydroxypropanoate) trihydrate

• ChemBase ID: 109853
• Molecular Formular: C6H16MnO9
• Molecular Mass: 287.123889
• Monoisotopic Mass: 287.01747719
• SMILES: O.O.O.[Mn+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-]
• Canonical SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.O.O.O.[Mn+2]
• InChI: InChI=1S/2C3H6O3.Mn.3H2O/c2*1-2(4)3(5)6;;;;/h2*2,4H,1H3,(H,5,6);;3*1H2/q;;+2;;;/p-2
• InChIKey: CUEZZHPBGFRWNY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: manganese(2+) ion bis(2-hydroxypropanoate) trihydrate
• IUPAC Traditional name: manganese(II) trihydrate dilactate
• Synonyms: MANGANESE LACTATE

Database IDs

• CAS Number: 51877-53-3
• PubChem SID: 162095215
• PubChem CID: 44135619

CALCULATED PROPERTIES

• Acid pKa: 3.7849424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• Molar Refractivity: 29.6769 cm^3
• Polarizability: 7.4274864 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05212802

MP Biomedicals Rare Chemical collection