Cas no 1328-73-0 (3-indoxyl-beta-d-glucopyranoside trihydrate)

3-indoxyl-beta-d-glucopyranoside trihydrate structure
1328-73-0 structure
Product Name:3-indoxyl-beta-d-glucopyranoside trihydrate
CAS No:1328-73-0
MF:C14H23NO9
MW:349.333725214005
MDL:MFCD00047169
CID:899272
Update Time:2026-04-29

3-indoxyl-beta-d-glucopyranoside trihydrate Chemical and Physical Properties

Names and Identifiers

    • 3-indoxyl-beta-d-glucopyranoside trihydrate
    • 3-INDOXYL-BETA-D-GLUCOPYRANOSIDE TRIHYDRATE, 99
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol,trihydrate
    • 3-Indoxyl-β-D-glucopyranoside, Trihydrate
    • 3-INDOXYL-Β-D-GLUCOPYRANOSIDE, TRIHYDRATE,CRYSTALLINE SOLID
    • 3-Indoxyl-
    • A-D-glucopyranoside,Trihydrate
    • Indican Trihydrate
    • Plant indican
    • indican (glucoside), trihydrate
    • 3-Indoxyl-beta-D-glucopyranoside trihydrateIndican (glucoside), trihydrate
    • MDL： MFCD00047169
    • Inchi： InChI=1S/C14H17NO6.3H2O/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9;;;/h1-5,10-19H,6H2;3*1H2/t10-,11-,12+,13-,14-;;;/m1.../s1
    • InChI Key： FAVNNZSQALVSCE-MRDGAMQGSA-N
    • SMILES： C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O.O.O.O

Computed Properties

  • Exact Mass: 349.13700
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 356
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.1

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 57-58°C
  • PSA: 142.86000
  • LogP: -0.84630
  • Solubility: Not determined

3-indoxyl-beta-d-glucopyranoside trihydrate Pricemore >>

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