Cas no 78416-84-9 (3-Pyridineacetic acid,5-amino-2-carboxy-1,4,5,6-tetrahydro-4-oxo-, (-)-)

3-Pyridineacetic acid,5-amino-2-carboxy-1,4,5,6-tetrahydro-4-oxo-, (-)- structure
78416-84-9 structure
Product Name:3-Pyridineacetic acid,5-amino-2-carboxy-1,4,5,6-tetrahydro-4-oxo-, (-)-
CAS No:78416-84-9
MF:C8H10N2O5
MW:214.175402164459
CID:566893
PubChem ID:101100
Update Time:2025-04-19

3-Pyridineacetic acid,5-amino-2-carboxy-1,4,5,6-tetrahydro-4-oxo-, (-)- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridineacetic acid,5-amino-2-carboxy-1,4,5,6-tetrahydro-4-oxo-, (-)-
    • gostatin
    • (-)-5-Amino-2-carboxy-1,4,5,6-tetrahydro-4-oxo-3-pyridineacetic acid
    • Gostatine
    • NSC-382261
    • Q27896951
    • 5-amino-3-(carboxymethyl)-4-oxo-1,4,5,6-tetrahydropyridine-2-carboxylic acid
    • 3-Pyridineacetic acid,5-amino-2-carboxy-1,4,5,6-tetrahydro-4-oxo-
    • (-)-5-Amino-3-(carboxymethyl)-4-oxo-1,4,5,6-tetrahydropyridine-2-carboxylic acid
    • 84986-74-3
    • GNH8A5TAQ0
    • 3-PYRIDINEACETIC ACID, 5-AMINO-2-CARBOXY-1,4,5,6-TETRAHYDRO-4-OXO-, (-)
    • 78416-84-9
    • NSC 382261
    • 3-Pyridineacetic acid, 5-amino-2-carboxy-1,4,5,6-tetrahydro-4-oxo-, (-)-
    • NSC382261
    • SB78691
    • 5-Amino-2-carboxy-4-oxo-1,4,5,6-tetrahydropyridine-3-acetic acid
    • SCHEMBL11227814
    • UNII-GNH8A5TAQ0
    • 5-amino-3-(carboxymethyl)-4-oxo-1,4,5,6-tetrahydropyridine-2-carboxylicacid
    • Inchi： 1S/C8H10N2O5/c9-4-2-10-6(8(14)15)3(7(4)13)1-5(11)12/h4,10H,1-2,9H2,(H,11,12)(H,14,15)
    • InChI Key： UXFJYSFCCBPXED-UHFFFAOYSA-N
    • SMILES： O=C1C(CC(=O)O)=C(C(=O)O)NCC1N

Computed Properties

  • Exact Mass: 214.05900
  • Monoisotopic Mass: 214.058971
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 360
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 130
  • XLogP3: -3.9

Experimental Properties

  • Density: 1.526
  • Boiling Point: 499.1°C at 760 mmHg
  • Flash Point: 255.7°C
  • Refractive Index: 1.579
  • PSA: 129.72000
  • LogP: -0.67150

3-Pyridineacetic acid,5-amino-2-carboxy-1,4,5,6-tetrahydro-4-oxo-, (-)- Related Literature

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