Cas no 23944-48-1 (Butanoic acid,2,3-dihydroxy-2-(1-methylethyl)-, (2S,3R)-)

Butanoic acid,2,3-dihydroxy-2-(1-methylethyl)-, (2S,3R)- structure
23944-48-1 structure
Product Name:Butanoic acid,2,3-dihydroxy-2-(1-methylethyl)-, (2S,3R)-
CAS No:23944-48-1
MF:C7H14O4
MW:162.183662891388
CID:258340
PubChem ID:12444451
Update Time:2025-04-19

Butanoic acid,2,3-dihydroxy-2-(1-methylethyl)-, (2S,3R)- Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,2,3-dihydroxy-2-(1-methylethyl)-, (2S,3R)-
    • (+)-(2'S,3'R)-Trachelanthic acid
    • (+)-Trachelanthic acid
    • (2S,3R)-Trachelanthicacid
    • Butanoicacid, 2,3-dihydroxy-2-(1-methylethyl)-, [S-(R*,S*)]-
    • Butyric acid,2,3-dihydroxy-2-isopropyl-, (2S,3R)- (8CI)
    • Trachelanthic acid (6CI,7CI)
    • Trachelanthic acid, (+)-
    • UNII-P3U4CV6BYC
    • 23944-48-1
    • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (S-(R*,S*))-
    • (2S,3R)-2,3-DIHYDROXY-2-(1-METHYLETHYL)BUTANOIC ACID
    • Trachelanthic acid
    • BUTYRIC ACID, 2,3-DIHYDROXY-2-ISOPROPYL-, (2S,3R)-
    • P3U4CV6BYC
    • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2S,3R)-
    • (2S,3R)-TRACHELANTHIC ACID
    • Inchi： 1S/C7H14O4/c1-4(2)7(11,5(3)8)6(9)10/h4-5,8,11H,1-3H3,(H,9,10)/t5-,7+/m1/s1
    • InChI Key： KXEISHUBUXWXGY-VDTYLAMSSA-N
    • SMILES： O[C@](C(=O)O)([C@@H](C)O)C(C)C

Computed Properties

  • Exact Mass: 162.08922
  • Monoisotopic Mass: 162.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • PSA: 77.76

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