Cas no 16127-59-6 (Propanoic acid,2-hydroxy-, calcium salt (2:1), (2R)-)

Propanoic acid,2-hydroxy-, calcium salt (2:1), (2R)- structure
16127-59-6 structure
Product Name:Propanoic acid,2-hydroxy-, calcium salt (2:1), (2R)-
CAS No:16127-59-6
MF:C6H10CaO6
MW:218.218001842499
CID:169768
PubChem ID:9859247
Update Time:2025-04-19

Propanoic acid,2-hydroxy-, calcium salt (2:1), (2R)- Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2-hydroxy-, calcium salt (2:1), (2R)-
    • calcium (R)-2-hydroxypropionate
    • calcium,(2R)-2-hydroxypropanoate
    • EINECS 240-289-2
    • NS00086926
    • LACTIC ACID, CALCIUM SALT (2:1), D-
    • calcium;(2R)-2-hydroxypropanoate
    • PROPANOIC ACID, 2-HYDROXY-, CALCIUM SALT (2:1), (2R)-
    • calcium d-lactate
    • 98028U73SN
    • CALCIUM LACTATE, D-
    • 16127-59-6
    • Q27272051
    • UNII-98028U73SN
    • Inchi： 1S/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2/t2*2-;/m11./s1
    • InChI Key： MKJXYGKVIBWPFZ-JCWNAWFTSA-L
    • SMILES： [Ca+2].O[C@@H](C(=O)[O-])C.O[C@@H](C(=O)[O-])C

Computed Properties

  • Exact Mass: 218.01000
  • Monoisotopic Mass: 128.98646
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 53.5
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 60.4

Experimental Properties

  • Density: g/cm3
  • Boiling Point: 227.6 °C at 760 mmHg
  • Flash Point: 109.9 °C
  • PSA: 120.72000
  • LogP: -3.76580

Propanoic acid,2-hydroxy-, calcium salt (2:1), (2R)- Related Literature

  • 1. LXVIII.—Preparation of the active lactic acids and the rotation of their metallic salts in solution
    T. Purdie,J. Wallace Walker J. Chem. Soc. Trans. 1895 67 616
  • 2. CXXXVIII.—Studies in asymmetric synthesis. III. The asymmetric synthesis of l-lactic acid. The optical activity of fermentation lactic acid
  • 3. LXIV.—The chemical action of Bacillus coli communis and similar organisms on carbohydrates and allied compounds

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