Cas no 6592-96-7 (citrulin, l-[ureido-14c])

citrulin, l-[ureido-14c] structure
citrulin, l-[ureido-14c] structure
Product Name:citrulin, l-[ureido-14c]
CAS No:6592-96-7
MF:C6H13N3O3
MW:177.178262472153
CID:962823
PubChem ID:90475362
Update Time:2025-04-19

citrulin, l-[ureido-14c] Chemical and Physical Properties

Names and Identifiers

    • citrulin, l-[ureido-14c]
    • CITRULIN,L-[UREIDO-14C]
    • 6592-96-7
    • Inchi: 1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1/i6+2
    • InChI Key: RHGKLRLOHDJJDR-ASWNLTSASA-N
    • SMILES: OC([C@H](CCCN[14C](N)=O)N)=O

Computed Properties

  • Exact Mass: 177.09893327g/mol
  • Monoisotopic Mass: 177.09893327g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 171
  • 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: -4.3
  • Topological Polar Surface Area: 118?2
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