Cas no 405897-14-5 (Butanedioic acid, 2,3-dihydroxy-, dimethyl ester)

Butanedioic acid, 2,3-dihydroxy-, dimethyl ester structure
405897-14-5 structure
Product Name:Butanedioic acid, 2,3-dihydroxy-, dimethyl ester
CAS No:405897-14-5
MF:C6H10O6
MW:178.140002727509
CID:3972970
PubChem ID:79067
Update Time:2025-04-22

Butanedioic acid, 2,3-dihydroxy-, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid, 2,3-dihydroxy-, dimethyl ester
    • Dimethyl 2,3-dihydroxysuccinate
    • NS00043648
    • MFCD00460852
    • MFCD00008445
    • Dimethyl (+)-tartrate
    • BBL011953
    • SB44715
    • SY036883
    • l-Tartaric acid, dimethyl ester
    • D-(-)-Tartaric acid dimethyl ester
    • TARTARIC ACID, DIMETHYL ESTER
    • DTXSID10871788
    • Meso-tartaric acid dimethyl ester
    • NSC-517
    • Tartaric acid, dimethyl ester, (+)-
    • Dimethyl 2,3-dihydroxysuccinate #
    • Tartaric acid, methyl ester
    • Dimethyl (2S,3S)-2,3-Dihydroxysuccinate
    • L-(+)-Tartaric acid, dimethyl ester
    • 5057-96-5
    • 405897-14-5
    • D(-)-Dimethyl D-tartrate
    • NSC517
    • SCHEMBL320222
    • D-Dimethyl tartrate
    • DB-016144
    • DB-016145
    • AC-3435
    • starbld0009862
    • Meso-tartaric acid, dimethylester
    • 89599-43-9
    • STK023732
    • (2S,3S)-(-)-Dimethyl D-tartrate
    • Butanedioic acid, 2,3-dihydroxy-, dimethyl ester, (R*,S*)-
    • AKOS005167158
    • 1,4-dimethyl 2,3-dihydroxybutanedioate
    • dimethyl (2R,3R)-2,3-dihydroxybutanedioate
    • (-)-Dimethyl D-tartrate
    • Dimethyl tartrate
    • Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, dimethyl ester
    • SY017639
    • VS-03133
    • TraubensA currencyuredimethylester
    • Butanedioic acid, 2,3-dihydroxy-, dimethyl ester, (R*,R*)-(.+/-.)-
    • dimethyl 2,3-dihydroxybutanedioate
    • Inchi： 1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3
    • InChI Key： PVRATXCXJDHJJN-UHFFFAOYSA-N
    • SMILES： OC(C(=O)OC)C(C(=O)OC)O

Computed Properties

  • Exact Mass: 178.048
  • Monoisotopic Mass: 178.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 157
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _1
  • Topological Polar Surface Area: 93.1A^2

Experimental Properties

  • Density: 1.367
  • Melting Point: 49 - 50 °C
  • Boiling Point: 118 - 122 °C (1 mmHg)
  • Flash Point: 95.7°C
  • Refractive Index: 1.47
  • PSA: 93.06000
  • LogP: -1.94580

Butanedioic acid, 2,3-dihydroxy-, dimethyl ester Related Literature

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