Cas no 28441-61-4 (D-Glucose,2,3:5,6-bis-O-(1-methylethylidene)-, dimethyl acetal, 4-methylbenzenesulfonate(9CI))

D-Glucose,2,3:5,6-bis-O-(1-methylethylidene)-, dimethyl acetal, 4-methylbenzenesulfonate(9CI) structure
28441-61-4 structure
Product Name:D-Glucose,2,3:5,6-bis-O-(1-methylethylidene)-, dimethyl acetal, 4-methylbenzenesulfonate(9CI)
CAS No:28441-61-4
MF:C21H32O9S
MW:460.53838634491
CID:266222
PubChem ID:425031
Update Time:2025-04-19

D-Glucose,2,3:5,6-bis-O-(1-methylethylidene)-, dimethyl acetal, 4-methylbenzenesulfonate(9CI) Chemical and Physical Properties

Names and Identifiers

    • D-Glucose,2,3:5,6-bis-O-(1-methylethylidene)-, dimethyl acetal, 4-methylbenzenesulfonate(9CI)
    • [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate
    • 2,3:5,6-Di-O-isopropyliden-4p-toluolsulfonyl-D-glucosedimethylacetal
    • AC1L8ET4
    • NSC170195
    • DTXSID40329909
    • NSC-170195
    • 28441-61-4
    • Inchi: 1S/C21H32O9S/c1-13-8-10-14(11-9-13)31(22,23)30-16(15-12-26-20(2,3)27-15)17-18(19(24-6)25-7)29-21(4,5)28-17/h8-11,15-19H,12H2,1-7H3
    • InChI Key: IMSKFQCOQDKJKO-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(=O)(=O)OC(C1COC(C)(C)O1)C1C(C(OC)OC)OC(C)(C)O1

Computed Properties

  • Exact Mass: 460.17676
  • Monoisotopic Mass: 460.177
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 8
  • Complexity: 690
  • 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: 2.1
  • Topological Polar Surface Area: 107?2

Experimental Properties

  • Density: 1.2
  • Boiling Point: 546.4°C at 760 mmHg
  • Flash Point: 284.2°C
  • Refractive Index: 1.5
  • PSA: 98.75
  • LogP: 3.44020
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