Cas no 126582-70-5 (b-D-Glucopyranoside,4,8-dihydroxy-3-methyl-1-naphthalenyl (9CI))

b-D-Glucopyranoside,4,8-dihydroxy-3-methyl-1-naphthalenyl (9CI) structure
126582-70-5 structure
Product Name:b-D-Glucopyranoside,4,8-dihydroxy-3-methyl-1-naphthalenyl (9CI)
CAS No:126582-70-5
MF:C17H20O8
MW:352.335906028748
CID:171697
Update Time:2024-03-01

b-D-Glucopyranoside,4,8-dihydroxy-3-methyl-1-naphthalenyl (9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside,4,8-dihydroxy-3-methyl-1-naphthalenyl (9CI)
    • Hydropumbagin4-O-glucoside
    • Plumbaside A
    • β-D-Glucopyranoside, 4,8-dihydroxy-3-methyl-1-naphthalenyl
    • Inchi: 1S/C17H20O8/c1-7-5-10(12-8(13(7)20)3-2-4-9(12)19)24-17-16(23)15(22)14(21)11(6-18)25-17/h2-5,11,14-23H,6H2,1H3
    • InChI Key: MRLGZVFLBTWJSX-UHFFFAOYSA-N
    • SMILES: CC1C(O)=C2C=CC=C(C2=C(OC2OC(CO)C(O)C(O)C2O)C=1)O

Computed Properties

  • Exact Mass: 272.08309
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 25
  • XLogP3: -0.254

Experimental Properties

  • Density: 1.574±0.06 g/cm3(Predicted)
  • Boiling Point: 700.4±60.0 °C(Predicted)
  • PSA: 52.54
  • pka: 9.23±0.40(Predicted)
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