Cas no 55570-92-8 ([3-Carboxy-2-(15-carboxypentadecanoyloxy)propyl]-trimethylazanium)

[3-Carboxy-2-(15-carboxypentadecanoyloxy)propyl]-trimethylazanium structure
55570-92-8 structure
Product Name:[3-Carboxy-2-(15-carboxypentadecanoyloxy)propyl]-trimethylazanium
CAS No:55570-92-8
MF:C23H44NO6
MW:430.598567962646
CID:2671587
Update Time:2023-08-06

[3-Carboxy-2-(15-carboxypentadecanoyloxy)propyl]-trimethylazanium Chemical and Physical Properties

Names and Identifiers

    • 3-Carboxylato-2-[(15-carboxy-1-oxopentadecyl)oxy]-N,N,N-trimethyl-1-propanaminium
    • [3-Carboxy-2-(15-carboxypentadecanoyloxy)propyl]-trimethylazanium
    • Inchi: 1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)/p+1
    • InChI Key: UNHCPLSWMNPZTD-UHFFFAOYSA-O
    • SMILES: O(C(CCCCCCCCCCCCCCC(=O)O)=O)C(CC(=O)O)C[N+](C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 21
  • Complexity: 487
  • Topological Polar Surface Area: 101
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