S,S-Lactyllactic acid - CAS 923-17-1
Catalog: |
BB054242 |
Product Name: |
S,S-Lactyllactic acid |
CAS: |
923-17-1 |
Synonyms: |
Propanoic acid, 2-hydroxy-, (1S)-1-carboxyethyl ester, (2S)-; (1S)-1-Carboxyethyl (2S)-2-hydroxypropanoate; Propanoic acid, 2-hydroxy-, 1-carboxyethyl ester, [S-(R*,R*)]-; L-Lactic acid dimer; L-Lactyl-L-lactic acid; L-lactic acid lactate |
IUPAC Name: | (2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid |
Molecular Weight: | 162.14 |
Molecular Formula: | C6H10O5 |
Canonical SMILES: | CC(C(=O)OC(C)C(=O)O)O |
InChI: | InChI=1S/C6H10O5/c1-3(7)6(10)11-4(2)5(8)9/h3-4,7H,1-2H3,(H,8,9)/t3-,4-/m0/s1 |
InChI Key: | OZZQHCBFUVFZGT-IMJSIDKUSA-N |
Boiling Point: | 315.2±22.0°C (Predicted) |
Density: | 1.308±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Ethyl Acetate (Slightly), Methanol (Sparingly) |
Storage: | Store at 2-8°C |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.05282342 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.05282342 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 83.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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