Cas no 32087-60-8 (b-D-Fructofuranose,2,3-O-(1-methylethylidene)-, 1,6-bis(4-methylbenzenesulfonate))

b-D-Fructofuranose,2,3-O-(1-methylethylidene)-, 1,6-bis(4-methylbenzenesulfonate) structure
32087-60-8 structure
Product Name:b-D-Fructofuranose,2,3-O-(1-methylethylidene)-, 1,6-bis(4-methylbenzenesulfonate)
CAS No:32087-60-8
MF:C23H28O10S2
MW:528.592425346375
CID:320790
PubChem ID:425028
Update Time:2025-04-19

b-D-Fructofuranose,2,3-O-(1-methylethylidene)-, 1,6-bis(4-methylbenzenesulfonate) Chemical and Physical Properties

Names and Identifiers

    • b-D-Fructofuranose,2,3-O-(1-methylethylidene)-, 1,6-bis(4-methylbenzenesulfonate)
    • [6-hydroxy-2,2-dimethyl-3a-[(4-methylphenyl)sulfonyloxymethyl]-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzenesulfonate
    • AC1L8ESY
    • NSC170117
    • 32087-60-8
    • DTXSID80329908
    • FT-0667741
    • NSC-170117
    • Inchi: 1S/C23H28O10S2/c1-15-5-9-17(10-6-15)34(25,26)29-13-19-20(24)21-23(31-19,33-22(3,4)32-21)14-30-35(27,28)18-11-7-16(2)8-12-18/h5-12,19-21,24H,13-14H2,1-4H3
    • InChI Key: RWMGKKKBAWACGX-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(=O)(=O)OCC12C(C(C(COS(C3C=CC(C)=CC=3)(=O)=O)O1)O)OC(C)(C)O2

Computed Properties

  • Exact Mass: 528.11244
  • Monoisotopic Mass: 528.11238943g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 8
  • Complexity: 938
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 151?2

Experimental Properties

  • PSA: 134.66
  • LogP: 4.18330
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