[(2-hydroxypropanoyl)oxy]manganio 2-hydroxypropanoate trihydrate

• ChemBase ID: 158519
• Molecular Formular: C6H16MnO9
• Molecular Mass: 287.123889
• Monoisotopic Mass: 287.01747719
• SMILES: CC(C(=O)O[Mn]OC(=O)C(C)O)O.O.O.O
• Canonical SMILES: CC(C(=O)O[Mn]OC(=O)C(O)C)O.O.O.O
• 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: [(2-hydroxypropanoyl)oxy]manganio 2-hydroxypropanoate trihydrate
• IUPAC Traditional name: [(2-hydroxypropanoyl)oxy]manganio 2-hydroxypropanoate trihydrate
• Synonyms: Manganese(II) lactate trihydrate; 2-羟基丙酸锰盐 三水合物

Database IDs

• CAS Number: 6505-50-6
• EC Number: 240-182-0
• MDL Number: MFCD00150481
• Beilstein Number: 6118575
• PubChem SID: 24848044; 162252655
• PubChem CID: 71312651

CALCULATED PROPERTIES

• Acid pKa: 12.747701
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1996
• LogD (pH = 7.4): -1.199602
• Log P: -1.1996
• Molar Refractivity: 35.8244 cm^3
• Polarizability: 17.982311 Å^3
• Polar Surface Area: 93.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• pH: 5-7 (20 °C, 5%)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%
• Grade: puriss.
• Impurities: ≤0.002% heavy metals (as Pb)
• Cation Traces: Fe: ≤20 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤100 mg/kg
• Linear Formula: (C3H5O3)2Mn · 3H2O