Cas no 63879-67-4 (Linaride)

Linaride structure
Linaride structure
Product Name:Linaride
CAS No:63879-67-4
MF:C15H22O8
MW:330.330385684967
CID:512515
Update Time:2024-03-01

Linaride Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside,(1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-methylcyclopenta[c]pyran-1-yl
    • b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-5-hydroxy-7-methylcyclopenta[c]pyran-1-yl, [1S-(1a,4aa,5a,7aa)]-
    • Linaride
    • Inchi: 1S/C15H22O8/c1-6-4-8(17)7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-4,7-20H,5H2,1H3/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
    • InChI Key: HPPZDIWRKXHSGN-FKVJWERZSA-N
    • SMILES: O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@H]1[C@@H]2C(C)=C[C@H]([C@@H]2C=CO1)O

Computed Properties

  • Exact Mass: 330.131
  • Monoisotopic Mass: 330.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 492
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 129
  • XLogP3: -1.142
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