Cas no 186459-75-6 (Aspartic acid, N,N'-1,2-ethanediylbis-)

Aspartic acid, N,N'-1,2-ethanediylbis- structure
186459-75-6 structure
Product Name:Aspartic acid, N,N'-1,2-ethanediylbis-
CAS No:186459-75-6
MF:C10H16N2O8
MW:292.242643356323
CID:1379295
PubChem ID:123395
Update Time:2025-04-20

Aspartic acid, N,N'-1,2-ethanediylbis- Chemical and Physical Properties

Names and Identifiers

    • Aspartic acid, N,N'-1,2-ethanediylbis-
    • Ethylenediamine-N,N'-disuccinic acid
    • 186459-75-6
    • DTXSID80860260
    • 2-[2-(1,2-dicarboxyethylamino)ethylamino]butanedioic acid
    • N-{2-[(1,2-dicarboxyethyl)amino]ethyl}aspartic acid
    • 2,2'-[Ethane-1,2-diylbis(azanediyl)]dibutanedioic acid
    • SCHEMBL39257
    • (S,S)-Ethylenediaminedisuccinic acid; (S,S)-Ethylenediamine-N,N'-disuccinic acid; N,N'-1,2-Ethanediylbis-L-aspartic acid
    • VKZRWSNIWNFCIQ-UHFFFAOYSA-N
    • A879383
    • Q412231
    • EDDS
    • Inchi: 1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
    • InChI Key: VKZRWSNIWNFCIQ-UHFFFAOYSA-N
    • SMILES: OC(C(CC(=O)O)NCCNC(C(=O)O)CC(=O)O)=O

Computed Properties

  • Exact Mass: 292.09068
  • Monoisotopic Mass: 292.09066547g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 11
  • Complexity: 348
  • 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: -6.9
  • Topological Polar Surface Area: 173?2

Experimental Properties

  • PSA: 173.26
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