Cas no 387398-74-5 (Pentanoic acid, 2-hydroxy-3-methyl-, (2R)-)

Pentanoic acid, 2-hydroxy-3-methyl-, (2R)- structure
387398-74-5 structure
Product Name:Pentanoic acid, 2-hydroxy-3-methyl-, (2R)-
CAS No:387398-74-5
MF:C6H12O3
MW:132.157682418823
CID:1490913
PubChem ID:9855480
Update Time:2025-04-21

Pentanoic acid, 2-hydroxy-3-methyl-, (2R)- Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid, 2-hydroxy-3-methyl-, (2R)-
    • (2R)-2-Hydroxy-3-methylpentanoicacid
    • (2R)-2-Hydroxy-3-methylpentanoic acid
    • AKOS006378687
    • 387398-74-5
    • SCHEMBL7062078
    • Inchi: 1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4?,5-/m1/s1
    • InChI Key: RILPIWOPNGRASR-BRJRFNKRSA-N
    • SMILES: O[C@@H](C(=O)O)C(C)CC

Computed Properties

  • Exact Mass: 132.07866
  • Monoisotopic Mass: 132.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 101
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53
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