Cas no 646530-54-3 (L-Aspartic acid, bis[2-(2-methoxyethoxy)ethyl] ester)

L-Aspartic acid, bis[2-(2-methoxyethoxy)ethyl] ester structure
646530-54-3 structure
Product Name:L-Aspartic acid, bis[2-(2-methoxyethoxy)ethyl] ester
CAS No:646530-54-3
MF:C14H27NO8
MW:337.366085290909
CID:419377
PubChem ID:71379180
Update Time:2025-04-19

L-Aspartic acid, bis[2-(2-methoxyethoxy)ethyl] ester Chemical and Physical Properties

Names and Identifiers

    • L-Aspartic acid, bis[2-(2-methoxyethoxy)ethyl] ester
    • bis[2-(2-methoxyethoxy)ethyl] (2S)-2-aminobutanedioate
    • DTXSID30801764
    • 646530-54-3
    • Bis[2-(2-methoxyethoxy)ethyl] L-aspartate
    • Inchi: 1S/C14H27NO8/c1-18-3-5-20-7-9-22-13(16)11-12(15)14(17)23-10-8-21-6-4-19-2/h12H,3-11,15H2,1-2H3/t12-/m0/s1
    • InChI Key: QCYQBMXDGCGDPQ-LBPRGKRZSA-N
    • SMILES: O(CCOCCOC)C([C@H](CC(=O)OCCOCCOC)N)=O

Computed Properties

  • Exact Mass: 337.17371
  • Monoisotopic Mass: 337.17366682g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 17
  • Complexity: 313
  • 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: -1.5
  • Topological Polar Surface Area: 116?2

Experimental Properties

  • PSA: 115.54
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