[(2-hydroxypropanoyl)oxy]zincio 2-hydroxypropanoate

• ChemBase ID: 108917
• Molecular Formular: C6H10O6Zn
• Molecular Mass: 243.52
• Monoisotopic Mass: 241.97688004
• SMILES: CC(O)C(=O)O[Zn]OC(=O)C(C)O
• Canonical SMILES: CC(C(=O)O[Zn]OC(=O)C(O)C)O
• InChI: InChI=1S/2C3H6O3.Zn/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2
• InChIKey: CANRESZKMUPMAE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-hydroxypropanoyl)oxy]zincio 2-hydroxypropanoate
• IUPAC Traditional name: zinc lactate
• Synonyms: D-LACTIC ACID ZINC SALT; DL-Lactic acid hemizinc salt; DL-乳酸 半锌盐

Database IDs

• CAS Number: 6155-68-6; 16039-53-5
• EC Number: 240-178-9
• MDL Number: MFCD00067561
• PubChem SID: 162094632
• PubChem CID: 27653

CALCULATED PROPERTIES

• Acid pKa: 12.747701
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.4996
• LogD (pH = 7.4): -1.499602
• Log P: -1.4996
• Molar Refractivity: 35.8244 cm^3
• Polarizability: 18.389141 Å^3
• Polar Surface Area: 93.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-50/53
• Safety Statements: 26-36-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H410
• GHS Precautionary statements: P261-P273-P305 + P351 + P338-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ~98%
• Linear Formula: C3H5O3 · 1/2Zn

DETAILS

MP Biomedicals - 05209230

MP Biomedicals Rare Chemical collection

Sigma Aldrich - L1625

Other Notes
Contains approximately equal amounts of DL isomers.