Cas no 13440-19-2 (a-D-Glucofuranose,1,2:5,6-di-O-cyclohexylidene-3-O-methyl-)

a-D-Glucofuranose,1,2:5,6-di-O-cyclohexylidene-3-O-methyl- structure
13440-19-2 structure
Product Name:a-D-Glucofuranose,1,2:5,6-di-O-cyclohexylidene-3-O-methyl-
CAS No:13440-19-2
MF:C19H30O6
MW:354.437906742096
CID:119582
PubChem ID:11873368
Update Time:2025-04-18

a-D-Glucofuranose,1,2:5,6-di-O-cyclohexylidene-3-O-methyl- Chemical and Physical Properties

Names and Identifiers

    • a-D-Glucofuranose,1,2:5,6-di-O-cyclohexylidene-3-O-methyl-
    • (3aR,5R,6S,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-methoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
    • 1,2:5,6-DI-O-CYCLOHEXYLIDENE-3-O-METHYL-ALPHA-D-GLUCOFURANOSE
    • 1,2:5,6-DI-O-CYCLOHEXYLIDENE-3-O-METHYL-a-D-GLUCOFURANOSE
    • 1,2:5,6-Di-O-cyclohexylidene-3-O-methyl-alpha-D-glucofuranose,98%
    • 1,2:5,6-DI-O-CYCLOHEXYLIDENE-3-O-METHYL- ALPHA-D-GLUCOFURANOSE 98%
    • (3a'R,6'S,6a'R)-5'-[(2R)-1,4-Dioxaspiro[4.5]decan-2-yl]-6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole] (non-preferred name)
    • DTXSID00474525
    • 13440-19-2
    • Inchi: 1S/C19H30O6/c1-20-15-14(13-12-21-18(23-13)8-4-2-5-9-18)22-17-16(15)24-19(25-17)10-6-3-7-11-19/h13-17H,2-12H2,1H3/t13-,14-,15+,16-,17-/m1/s1
    • InChI Key: ACCMQFBKWULOQG-NQNKBUKLSA-N
    • SMILES: O1C2(CCCCC2)O[C@@H]2[C@H]1[C@H]([C@@H]([C@H]1COC3(CCCCC3)O1)O2)OC

Computed Properties

  • Exact Mass: 354.20400
  • Monoisotopic Mass: 354.204239
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 2
  • Complexity: 484
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.5
  • Topological Polar Surface Area: 55.4

Experimental Properties

  • Color/Form: Not available
  • Density: 1.1257 (rough estimate)
  • Melting Point: 35-38 °C
  • Boiling Point: 447.66°C (rough estimate)
  • Flash Point: 189.4°C
  • Refractive Index: 1.5200 (estimate)
  • PSA: 55.38000
  • LogP: 2.87790
  • Solubility: Not available

a-D-Glucofuranose,1,2:5,6-di-O-cyclohexylidene-3-O-methyl- Security Information

  • Safety Instruction: S24/25
  • Safety Term:S24/25
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