Cas no 55094-97-8 (1,5-dimethyl (2S)-2-hydroxypentanedioate)

1,5-dimethyl (2S)-2-hydroxypentanedioate structure
55094-97-8 structure
Product Name:1,5-dimethyl (2S)-2-hydroxypentanedioate
CAS No:55094-97-8
MF:C7H12O5
MW:176.167182922363
CID:352853
PubChem ID:10986803
Update Time:2025-04-19

1,5-dimethyl (2S)-2-hydroxypentanedioate Chemical and Physical Properties

Names and Identifiers

    • Pentanedioic acid, 2-hydroxy-, dimethyl ester, (2S)-
    • (S)-(-)-dimethyl 2-hydroxypentandioate
    • (S)-2-hydroxy-glutaric acid dimethyl ester
    • (S)-2-hydroxy-pentanedioic acid dimethyl ester
    • (S)-dimethyl 2-hydroxyglutarate
    • (S)-di-methyl 2-hydroxyglutarate
    • dimethyl (2S)-2-hydroxypentanedioate
    • 1,5-dimethyl (2S)-2-hydroxypentanedioate
    • Dimethyl (S)-2-hydroxypentanedioate
    • DTXSID90450818
    • EN300-1174672
    • MFCD27925326
    • (S)-Dimethyl 2-hydroxypentanedioate
    • (S)-Dimethyl2-hydroxypentanedioate
    • 55094-97-8
    • SCHEMBL14436811
    • W17109
    • MDL: MFCD27925326
    • Inchi: 1S/C7H12O5/c1-11-6(9)4-3-5(8)7(10)12-2/h5,8H,3-4H2,1-2H3/t5-/m0/s1
    • InChI Key: SHBLBMNYOOCEFM-YFKPBYRVSA-N
    • SMILES: O[C@H](C(=O)OC)CCC(=O)OC

Computed Properties

  • Exact Mass: 176.06800
  • Monoisotopic Mass: 176.06847348g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 165
  • 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: -0.3
  • Topological Polar Surface Area: 72.8?2

Experimental Properties

  • PSA: 72.83000
  • LogP: -0.52650

1,5-dimethyl (2S)-2-hydroxypentanedioate Pricemore >>

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1,5-dimethyl (2S)-2-hydroxypentanedioate Production Method

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