Cas no 5450-26-0 (1,2:5,6-Di-O-isopropylidene-3-O-methanesulfonyl-a-D-glucofuranose)

1,2:5,6-Di-O-isopropylidene-3-O-methanesulfonyl-a-D-glucofuranose structure
5450-26-0 structure
Product Name:1,2:5,6-Di-O-isopropylidene-3-O-methanesulfonyl-a-D-glucofuranose
CAS No:5450-26-0
MF:C13H22O8S
MW:338.373983860016
CID:45898
PubChem ID:79536
Update Time:2025-04-18

1,2:5,6-Di-O-isopropylidene-3-O-methanesulfonyl-a-D-glucofuranose Chemical and Physical Properties

Names and Identifiers

    • 1,2:5,6-Di-O-isopropylidene-3-O-(methylsulfonyl)-alpha-D-glucofuranose
    • 1,2:5,6-Di-O-isopropylidene-3-O-(methylsulfonyl)-α-D-glucofuranose
    • 1,2:5,6-Di-O-isopro
    • 1,2:5,6-Di-O-isopropylidene-3-O-methanesulfonyl-a-D-glucofuranose
    • 3-O-METHANESULPHONYL-1,2,5,6-DI-O-ISOPROPYLIDENE-D-GLUCOFURANOSE
    • Glucofuranose,1,2:5,6-di-O-isopropylidene-, methanesulfonate, a-D- (8CI)
    • a-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-,methanesulfonate (9CI)
    • a-D-Glucofuranose, 1,2:5,6-di-O-isopropylidene-, 3-methanesulfonate(6CI,7CI)
    • Furo[2,3-d]-1,3-dioxole, a-D-glucofuranose deriv.
    • 1,2:5,6-Di-O-isopropylidene-3-O-mesyl-a-D-glucofuranose
    • 3-O-(Methylsulfonyl)-1,2
    • 5,6-di-O-isopropylidene-a-D-glucofuranose
    • (3AR,5R,6S,6aR)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ylmethanesulfonate
    • D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, 3-methanesulfonate
    • SCHEMBL5665101
    • (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl methanesulfonate
    • EINECS 226-675-3
    • AI3-61546
    • 3-O-Methylsulphonyl-1,2,5,6-di-O-isopropylidene-alpha-D-glucofuranose
    • (3AR,5R,6S,6aR)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl methanesulfonate
    • 5450-26-0
    • DTXSID901145757
    • MFCD09752163
    • 1.2.5.6-Di-O-isopropylidene-3-O-methylsulfonyl-alpha-D-glucofuranose
    • alpha-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, 3-methanesulfonate
    • 1,2:5,6-Di-O-isopropylidene-3-O-methanesulfonyl-alpha-D-glucofuranose
    • Inchi: 1S/C13H22O8S/c1-12(2)16-6-7(18-12)8-9(21-22(5,14)15)10-11(17-8)20-13(3,4)19-10/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11-/m1/s1
    • InChI Key: CLCAOXSGSHWACR-KAMPLNKDSA-N
    • SMILES: S(C)(=O)(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)(C)O2)O[C@@H]1[C@H]1COC(C)(C)O1

Computed Properties

  • Exact Mass: 338.10400
  • Monoisotopic Mass: 338.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 537
  • 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
  • XLogP3: 0.1
  • Topological Polar Surface Area: 89.5

Experimental Properties

  • Color/Form: Off white powder
  • Density: 1.36
  • Melting Point: 79-81 oC
  • Boiling Point: 447.7 °C at 760 mmHg
  • Flash Point: 224.5 °C
  • Refractive Index: 1.52
  • PSA: 97.90000
  • LogP: 1.43990
  • Specific Rotation: -30 o (c=2, MeOH)
  • Solubility: Not determined

1,2:5,6-Di-O-isopropylidene-3-O-methanesulfonyl-a-D-glucofuranose Security Information

  • Storage Condition:0-6°C

1,2:5,6-Di-O-isopropylidene-3-O-methanesulfonyl-a-D-glucofuranose Pricemore >>

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