Cas no 106982-96-1 (b-D-Allopyranoside,4-(hydroxymethyl)phenyl)

b-D-Allopyranoside,4-(hydroxymethyl)phenyl structure
106982-96-1 structure
Product Name:b-D-Allopyranoside,4-(hydroxymethyl)phenyl
CAS No:106982-96-1
MF:C13H18O7
MW:286.277824878693
CID:204172
Update Time:2024-03-01

b-D-Allopyranoside,4-(hydroxymethyl)phenyl Chemical and Physical Properties

Names and Identifiers

    • b-D-Allopyranoside,4-(hydroxymethyl)phenyl
    • Helicidol
    • β-D-Allopyranoside, 4-(hydroxymethyl)phenyl
    • Inchi: 1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11-,12-,13-/m1/s1
    • InChI Key: PUQSUZTXKPLAPR-SYLRKERUSA-N
    • SMILES: O(C1=CC=C(CO)C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O

Computed Properties

  • Exact Mass: 448.15804

Experimental Properties

  • Density: 1.504±0.06 g/cm3(Predicted)
  • Boiling Point: 563.2±50.0 °C(Predicted)
  • PSA: 198.76
  • pka: 12.80±0.70(Predicted)

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