Cas no 64818-17-3 (D-Ornithine,3-hydroxy-, (bR)-rel-(9CI))

D-Ornithine,3-hydroxy-, (bR)-rel-(9CI) structure
64818-17-3 structure
Product Name:D-Ornithine,3-hydroxy-, (bR)-rel-(9CI)
CAS No:64818-17-3
MF:C5H12N2O3
MW:148.160381317139
CID:510705
Update Time:2025-04-19

D-Ornithine,3-hydroxy-, (bR)-rel-(9CI) Chemical and Physical Properties

Names and Identifiers

    • D-Ornithine,3-hydroxy-, (bR)-rel-(9CI)
    • 3-hydroxyornithine
    • ornithine, 3-hydroxy-
    • Inchi： 1S/C5H12N2O3/c6-2-1-3(8)4(7)5(9)10/h3-4,8H,1-2,6-7H2,(H,9,10)
    • InChI Key： UHPDQDWXMXBLRX-UHFFFAOYSA-N
    • SMILES： NCCC(C(C(=O)O)N)O

Computed Properties

  • Exact Mass: 148.08486
  • Monoisotopic Mass: 148.084792
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 118
  • 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: _3.9
  • Topological Polar Surface Area: 110

Experimental Properties

  • Density: 1.331
  • Boiling Point: 421.2°C at 760 mmHg
  • Flash Point: 208.5°C
  • Refractive Index: 1.547
  • PSA: 109.57

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