Cas no 21066-72-8 (Tartaric acid; (2RS,3SR)-form, Di-Et ester)

Tartaric acid; (2RS,3SR)-form, Di-Et ester structure
21066-72-8 structure
Product Name:Tartaric acid; (2RS,3SR)-form, Di-Et ester
CAS No:21066-72-8
MF:C8H14O6
MW:206.193163394928
CID:2937633
PubChem ID:638139
Update Time:2025-04-21

Tartaric acid; (2RS,3SR)-form, Di-Et ester Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL8645598
    • (+)-det
    • 21066-72-8
    • Rel-diethyl (2R,3S)-2,3-dihydroxysuccinate
    • Tartaric acid; (2RS,3SR)-form, Di-Et ester
    • Inchi: 1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3
    • InChI Key: YSAVZVORKRDODB-UHFFFAOYSA-N
    • SMILES: CCOC(C(C(C(OCC)=O)O)O)=O

Computed Properties

  • Exact Mass: 206.07903816Da
  • Monoisotopic Mass: 206.07903816Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 180
  • 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: -0.3
  • Topological Polar Surface Area: 93.1?2
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