Cas no 53093-86-0 ( )

  structure
  structure
Product Name: 
CAS No:53093-86-0
MF:C14H25N5O6
MW:359.37820315361
CID:868441
PubChem ID:53477616
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 2-aminoacetic acid,(2R)-2-aminopropanoic acid,(2S)-2-aminopropanoic acid
    • GLY-ALA-ALA-D -ALA-D -ALA
    • D-alanine, glycylalanylalanyl-D-alanyl-
    • Glycylalanylalanyl-D-alanyl-D-alanine
    • LogP
    •  
    • Inchi: 1S/C14H25N5O6/c1-6(16-10(20)5-15)11(21)17-7(2)12(22)18-8(3)13(23)19-9(4)14(24)25/h6-9H,5,15H2,1-4H3,(H,16,20)(H,17,21)(H,18,22)(H,19,23)(H,24,25)/t6-,7-,8+,9+/m0/s1
    • InChI Key: KFAHJBXSCMRXIA-RBXMUDONSA-N
    • SMILES: O=C([C@H](C)NC([C@H](C)NC(CN)=O)=O)N[C@H](C)C(N[C@@H](C(=O)O)C)=O

Computed Properties

  • Exact Mass: 359.18065
  • Monoisotopic Mass: 359.18
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 9
  • Complexity: 538
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 180A^2
  • XLogP3: -4.4

Experimental Properties

  • Density: 1.269
  • Boiling Point: 836.41°C at 760 mmHg
  • Flash Point: 459.644°C
  • Refractive Index: 1.522
  • PSA: 179.72
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