Cas no 75499-83-1 (2,5-Anhydro-4,6-di-O-benzoyl-D-glucitol)

2,5-Anhydro-4,6-di-O-benzoyl-D-glucitol structure
75499-83-1 structure
Product Name:2,5-Anhydro-4,6-di-O-benzoyl-D-glucitol
CAS No:75499-83-1
MF:C20H20O7
MW:372.368606567383
CID:558950
Update Time:2023-08-02

2,5-Anhydro-4,6-di-O-benzoyl-D-glucitol Chemical and Physical Properties

Names and Identifiers

    • D-Glucitol,2,5-anhydro-, 4,6-dibenzoate
    • 2,5-anhydro-4,5-di-O-benzoyl-D-glucitol
    • 2,5-ANHYDRO-4,6-DI-O-BENZOYL-D-GLUCITOL
    • D-Glucitol,2,5-anhydro-,4,6-dibenzoate
    • 2,5-Anhydro-4,6-di-O-benzoyl-D-glucitol
    • Inchi： 1S/C20H20O7/c21-11-15-17(22)18(27-20(24)14-9-5-2-6-10-14)16(26-15)12-25-19(23)13-7-3-1-4-8-13/h1-10,15-18,21-22H,11-12H2/t15-,16+,17+,18+/m0/s1
    • InChI Key： SSDDKLJPMGOGSJ-BSDSXHPESA-N
    • SMILES： O1[C@@H](CO)[C@H]([C@@H]([C@H]1COC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 8
  • Complexity: 497
  • Topological Polar Surface Area: 102

Experimental Properties

  • PSA: 102.29000
  • LogP: 1.18960

2,5-Anhydro-4,6-di-O-benzoyl-D-glucitol Related Literature

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