Cas no 207728-71-0 (b-D-Glucopyranosiduronic acid,8-quinolinyl, monosodium salt (9CI))

b-D-Glucopyranosiduronic acid,8-quinolinyl, monosodium salt (9CI) structure
207728-71-0 structure
Product Name:b-D-Glucopyranosiduronic acid,8-quinolinyl, monosodium salt (9CI)
CAS No:207728-71-0
MF:C15H14NNaO7
MW:343.263935565948
MDL:MFCD02683911
CID:241897
PubChem ID:329755745
Update Time:2025-07-12

b-D-Glucopyranosiduronic acid,8-quinolinyl, monosodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid,8-quinolinyl, monosodium salt (9CI)
    • 8-Hydroxyquinoline-beta-D-GlcUA*Na
    • 8-HYDROXYQUINOLINE-BETA-D-GLUCURONIC ACID, SODIUM SALT
    • sodium,(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylate
    • 8-Hydroxyquinoline-
    • 8-Quinolyl-
    • A-D-glucopyranosiduronic acid sodium salt
    • A-D-glucuronic acid sodium salt
    • A-D-glucuronide sodium salt
    • W0498
    • 8-Hydroxyquinoline- beta -D-glucuronic acid, sodium salt
    • 8-Hydroxyquinoline-beta-D-glucuronic acid sodium salt, 8-Quinolyl-beta-D-glucopyranosiduronic acid sodium salt
    • 8-Hydroxyquinoline-beta-D-glucuronic acid,sodium salt
    • Sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(quinolin-8-yloxy)tetrahydro-2H-pyran-2-carboxylate
    • 8-Hydroxyquinoline-b-D-glucuronide sodium salt
    • DTXSID40735889
    • MFCD02683911
    • SCHEMBL935123
    • beta-D-Glucopyranosiduronic acid, 8-quinolinyl, monosodium salt (9CI)
    • sodium;(2S, 3S, 4S, 5R, 6S)-3, 4, 5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylate
    • 207728-71-0
    • Sodium quinolin-8-yl beta-D-glucopyranosiduronate
    • Sodium(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(quinolin-8-yloxy)tetrahydro-2H-pyran-2-carboxylate
    • MDL: MFCD02683911
    • Inchi: 1S/C15H15NO7.Na/c17-10-11(18)13(14(20)21)23-15(12(10)19)22-8-5-1-3-7-4-2-6-16-9(7)8;/h1-6,10-13,15,17-19H,(H,20,21);/q;+1/p-1/t10-,11-,12+,13-,15+;/m0./s1
    • InChI Key: QYRMLNFJXNJXLO-KSOKONAESA-M
    • SMILES: [Na+].O1[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]([C@@H]1OC1=CC=CC2=CC=CN=C12)O)O)O

Computed Properties

  • Exact Mass: 343.06700
  • Monoisotopic Mass: 343.06679607g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 440
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 132?2

Experimental Properties

  • PSA: 132.17000
  • LogP: -1.82890
  • Optical Activity: [α]/D -84.0±4.0°, c =?1 in H2O

b-D-Glucopyranosiduronic acid,8-quinolinyl, monosodium salt (9CI) Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

b-D-Glucopyranosiduronic acid,8-quinolinyl, monosodium salt (9CI) Pricemore >>

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