Cas no 1136-21-6 (Glucopyranose,2,3,4-tri-O-methyl-)

Glucopyranose,2,3,4-tri-O-methyl- structure
1136-21-6 structure
Product Name:Glucopyranose,2,3,4-tri-O-methyl-
CAS No:1136-21-6
MF:C9H18O6
MW:222.235623836517
CID:117459
PubChem ID:11499542
Update Time:2025-04-18

Glucopyranose,2,3,4-tri-O-methyl- Chemical and Physical Properties

Names and Identifiers

    • Glucopyranose,2,3,4-tri-O-methyl-
    • (3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-ol
    • 2,3,4-TRI-O-METHYL-GLUCOPYRANOSE
    • DTXSID30467622
    • CTK4A8386
    • 1136-21-6
    • Inchi: 1S/C9H18O6/c1-12-6-5(4-10)15-9(11)8(14-3)7(6)13-2/h5-11H,4H2,1-3H3/t5-,6-,7+,8-,9?/m1/s1
    • InChI Key: JVOHXPRICXIUJD-LOFWALOHSA-N
    • SMILES: O1C([C@@H]([C@H]([C@@H]([C@H]1CO)OC)OC)OC)O

Computed Properties

  • Exact Mass: 222.11034
  • Monoisotopic Mass: 222.11033829g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 187
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -1.5
  • Topological Polar Surface Area: 77.4?2

Experimental Properties

  • PSA: 77.38
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