Cas no 95863-87-9 (L-Proline,4-hydroxy-5-(hydroxymethyl)-, (4S,5R)-)

L-Proline,4-hydroxy-5-(hydroxymethyl)-, (4S,5R)- structure
95863-87-9 structure
Product Name:L-Proline,4-hydroxy-5-(hydroxymethyl)-, (4S,5R)-
CAS No:95863-87-9
MF:C6H11NO4
MW:161.155842065811
CID:811621
PubChem ID:10441970
Update Time:2025-04-19

L-Proline,4-hydroxy-5-(hydroxymethyl)-, (4S,5R)- Chemical and Physical Properties

Names and Identifiers

    • L-Proline,4-hydroxy-5-(hydroxymethyl)-, (4S,5R)-
    • L-Proline, 4-hydroxy-5-(hydroxymethyl)-, (4S,5R)- (9CI)
    • (4S,5R)-4-hydroxy-5-(hydroxymethyl)-l-proline
    • J-501483
    • 95863-87-9
    • (2S,4S,5R)-4-Hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid
    • CHEMBL3133410
    • Inchi: 1S/C6H11NO4/c8-2-4-5(9)1-3(7-4)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5-/m0/s1
    • InChI Key: AEWQBAFSXFXHIT-LMVFSUKVSA-N
    • SMILES: O[C@H]1C[C@@H](C(=O)O)N[C@@H]1CO

Computed Properties

  • Exact Mass: 161.06880783g/mol
  • Monoisotopic Mass: 161.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 161
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.4
  • Topological Polar Surface Area: 89.8?2
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