Cas no 7057-09-2 (5-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol)

5-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol structure
7057-09-2 structure
Product Name:5-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CAS No:7057-09-2
MF:C9H16O5
MW:204.220343589783
CID:1744882
PubChem ID:241867
Update Time:2025-04-21

5-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol Chemical and Physical Properties

Names and Identifiers

    • 5-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
    • AG-K-94624
    • AGN-PC-00O5ZN
    • 5-deoxy-1,2-o-(1-methylethylidene)hexofuranose
    • AC1L68AE
    • CTK2I0333
    • AR-1G7934
    • 1,2-di-O-isopropylidene-5-deoxy-D-xylo-hexofuranose
    • AC1Q6ZKO
    • NSC49777
    • (3aR,5R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethylfuro&lt
    • 2,3-d&gt
    • -1,3-dioxole-5-ethanol
    • AG-K-94624; AGN-PC-00O5ZN; 5-deoxy-1,2-o-(1-methylethylidene)hexofuranose; AC1L68AE; CTK2I0333; AR-1G7934; 1,2-di-O-isopropylidene-5-deoxy-D-xylo-hexofuranose; AC1Q6ZKO; NSC49777; (3aR,5R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethylfuro< 2,3-d> -1,3-dioxole-5-ethanol;
    • NSC-49777
    • DTXSID40287232
    • 7057-09-2
    • Inchi: 1S/C9H16O5/c1-9(2)13-7-6(11)5(3-4-10)12-8(7)14-9/h5-8,10-11H,3-4H2,1-2H3
    • InChI Key: LEORRMZBEOLLIL-UHFFFAOYSA-N
    • SMILES: O1C(CCO)C(C2C1OC(C)(C)O2)O

Computed Properties

  • Exact Mass: 204.09978
  • Monoisotopic Mass: 204.09977361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 217
  • 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: -0.6
  • Topological Polar Surface Area: 68.2?2

Experimental Properties

  • PSA: 68.15
  • LogP: -0.39390
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