Cas no 77463-72-0 (5-Methoxyindol-6-yl D-glucosiduronic Acid)

5-Methoxyindol-6-yl D-glucosiduronic Acid structure
77463-72-0 structure
Product Name:5-Methoxyindol-6-yl D-glucosiduronic Acid
CAS No:77463-72-0
MF:C15H17NO8
MW:339.297384977341
CID:568762
PubChem ID:196513
Update Time:2025-04-19

5-Methoxyindol-6-yl D-glucosiduronic Acid Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid,5-methoxy-1H-indol-6-yl
    • 6-hydroxy-5-methoxyindole glucuronide
    • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-methoxy-1H-indol-6-yl)oxy]oxane-2-carboxylic acid
    • beta-D-Glucopyranosiduronic acid, 5-methoxy-1H-indol-6-yl
    • 6-H-5-Mig
    • 5-methoxy-1H-indol-6-yl-beta-delta-Glucopyranosiduronic acid
    • 6-hydroxy-5-methoxyindole glucuronoside
    • 5-Methoxyindol-6-yl D-glucosiduronic acid
    • DTXSID30228174
    • 77463-72-0
    • CHEBI:169226
    • 5-methoxy-1H-indol-6-yl-beta-D-Glucopyranosiduronic acid
    • 5-Methoxyindol-6-yl D-glucosiduronic Acid
    • Inchi: 1S/C15H17NO8/c1-22-8-4-6-2-3-16-7(6)5-9(8)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-5,10-13,15-19H,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1
    • InChI Key: NECCHCPFFUXUOB-DKBOKBLXSA-N
    • SMILES: O1[C@H](C(=O)O)[C@H]([C@@H]([C@H]([C@@H]1OC1=C(C=C2C=CNC2=C1)OC)O)O)O

Computed Properties

  • Exact Mass: 339.095417
  • Monoisotopic Mass: 339.095417
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 463
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 142
  • XLogP3: 0.1

Experimental Properties

  • Density: 1.642
  • Boiling Point: 669.2°C at 760 mmHg
  • Flash Point: 358.5°C
  • Refractive Index: 1.71

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