Cas no 66178-06-1 ((2S)-4-(benzyloxy)-2-hydroxy-4-oxobutanoic acid)

(2S)-4-(benzyloxy)-2-hydroxy-4-oxobutanoic acid structure
66178-06-1 structure
Product Name:(2S)-4-(benzyloxy)-2-hydroxy-4-oxobutanoic acid
CAS No:66178-06-1
MF:C11H12O5
MW:224.209983825684
CID:1704433
PubChem ID:3050318
Update Time:2025-04-21

(2S)-4-(benzyloxy)-2-hydroxy-4-oxobutanoic acid Chemical and Physical Properties

Names and Identifiers

    • (2S)-4-(benzyloxy)-2-hydroxy-4-oxobutanoic acid
    • (2S)-2-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
    • DTXSID20216363
    • (S)-alpha-Benzylmalic acid
    • EN300-1132062
    • (S)-3-(benzyloxycarbonyl)-2-hydroxypropanoic acid
    • 66178-06-1
    • Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-
    • Benzyl alpha-(S)-malate
    • 4-(Phenylmethyl) (S)-hydroxybutanedioate
    • IBFHVVYOZSCYNN-VIFPVBQESA-N
    • (2S)-4-(BENZYLOXY)-2-HYDROXY-4-OXOBUTANOICACID
    • Butanedioic acid, 2-hydroxy-, 4-(phenylmethyl) ester, (2S)-
    • (S)-4-(Benzyloxy)-2-hydroxy-4-oxobutanoic acid
    • G74131
    • SCHEMBL3062373
    • Inchi： 1S/C11H12O5/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,14,15)/t9-/m0/s1
    • InChI Key： IBFHVVYOZSCYNN-VIFPVBQESA-N
    • SMILES： O(C(C[C@@H](C(=O)O)O)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 224.06846
  • Monoisotopic Mass: 224.06847348g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 245
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 83.8?2

Experimental Properties

  • PSA: 83.83

(2S)-4-(benzyloxy)-2-hydroxy-4-oxobutanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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Enamine
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