Cas no 88199-72-8 (D-chiro-Inositol, 2-O-.beta.-D-galactopyranosyl-4-O-methyl-)

D-chiro-Inositol, 2-O-.beta.-D-galactopyranosyl-4-O-methyl- structure
88199-72-8 structure
Product Name:D-chiro-Inositol, 2-O-.beta.-D-galactopyranosyl-4-O-methyl-
CAS No:88199-72-8
MF:C13H24O11
MW:356.324g/molg/mol
CID:721339
PubChem ID:101926786
Update Time:2024-03-01

D-chiro-Inositol, 2-O-.beta.-D-galactopyranosyl-4-O-methyl- Chemical and Physical Properties

Names and Identifiers

    • D-chiro-Inositol, 2-O-b-D-galactopyranosyl-4-O-methyl-
    • D-chiro-Inositol, 2-O-.beta.-D-galactopyranosyl-4-O-methyl-
    • galactopinitol B
    • 2-O-b-D-Galactopyranoside 4-O-Methyl-D-chiro-inositol
    • 2-O-b-D-Galactopyranoside 3-O-Methyl-D-chiro-inositol
    • O-beta-D-Galactopyranosyl-(1->2)-4-O-methyl-chiro-inositol
    • CID 101926786
    • (1S,2R,3S,4R,5S,6S)-4-methoxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,5-tetrol
    • CHEBI:169058
    • 88199-72-8
    • DTXSID301316619
    • Inchi: 1S/C13H24O11/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12+,13+/m1/s1
    • InChI Key: WFSVEMFCPALUBB-DVLBVPSGSA-N
    • SMILES: O([C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O)[C@H]1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)OC)O)O)O

Computed Properties

  • Exact Mass: 356.132
  • Monoisotopic Mass: 356.132
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 409
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 190
  • XLogP3: -4.8
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