Cas no 123563-44-0 (Cyclohexanone, 4-[2-(b-D-glucopyranosyloxy)ethyl]-4-hydroxy-)

Cyclohexanone, 4-[2-(b-D-glucopyranosyloxy)ethyl]-4-hydroxy- structure
123563-44-0 structure
Product Name:Cyclohexanone, 4-[2-(b-D-glucopyranosyloxy)ethyl]-4-hydroxy-
CAS No:123563-44-0
MF:C14H24O8
MW:320.335565567017
CID:229440
Update Time:2024-03-01

Cyclohexanone, 4-[2-(b-D-glucopyranosyloxy)ethyl]-4-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanone, 4-[2-(b-D-glucopyranosyloxy)ethyl]-4-hydroxy-
    • RengiosideB
    • Rengyoside B
    • Cyclohexanone, 4-[2-(β-D-glucopyranosyloxy)ethyl]-4-hydroxy-
    • Inchi: 1S/C14H24O8/c15-7-9-10(17)11(18)12(19)13(22-9)21-6-5-14(20)3-1-8(16)2-4-14/h9-13,15,17-20H,1-7H2/t9-,10-,11+,12-,13-/m1/s1
    • InChI Key: BCPZXYWRQMEQAG-UJPOAAIJSA-N
    • SMILES: C1(=O)CCC(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)(O)CC1

Computed Properties

  • Exact Mass: 320.14712
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 22
  • XLogP3: -1.786

Experimental Properties

  • Density: 1.44±0.1 g/cm3(Predicted)
  • Boiling Point: 569.5±50.0 °C(Predicted)
  • PSA: 136.68
  • pka: 12.94±0.70(Predicted)
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