nickel(2+) ion bis((2S)-2-hydroxypropanoate) tetrahydrate

• ChemBase ID: 295890
• Molecular Formular: C6H18NiO10
• Molecular Mass: 308.89452
• Monoisotopic Mass: 308.02533968
• SMILES: C[C@@H](C(=O)[O-])O.C[C@@H](C(=O)[O-])O.O.O.O.O.[Ni+2]
• Canonical SMILES: C[C@@H](C(=O)[O-])O.C[C@@H](C(=O)[O-])O.O.O.O.O.[Ni+2]
• InChI: InChI=1S/2C3H6O3.Ni.4H2O/c2*1-2(4)3(5)6;;;;;/h2*2,4H,1H3,(H,5,6);;4*1H2/q;;+2;;;;/p-2/t2*2-;;;;;/m00...../s1
• InChIKey: MPZCTVTWVGDJBV-CBAPHJFVSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion bis((2S)-2-hydroxypropanoate) tetrahydrate
• IUPAC Traditional name: nickel(2+) ion bis(L-(+)-lactate) tetrahydrate
• Synonyms: Nickel(II) lactate tetrahydrate; 乳酸镍(II)四水合物

Database IDs

• MDL Number: MFCD02683106
• PubChem SID: 180681421
• PubChem CID: 73995070

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

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 49-61-42/43-48/23-68-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS08; GHS09
• GHS Hazard statements: H334-H350-H360-H372-H317-H341-H400-H410
• GHS Precautionary statements: P260-P285-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%