4-[(3aR,5S,6aR)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane

• ChemBase ID: 165902
• Molecular Formular: C12H20O5
• Molecular Mass: 244.2842
• Monoisotopic Mass: 244.13107374
• SMILES: O1C(OC(C1)[C@@H]1C[C@@H]2[C@H](O1)OC(O2)(C)C)(C)C
• Canonical SMILES: CC1(C)OCC(O1)[C@H]1O[C@H]2[C@@H](C1)OC(O2)(C)C
• InChI: InChI=1S/C12H20O5/c1-11(2)13-6-9(16-11)7-5-8-10(14-7)17-12(3,4)15-8/h7-10H,5-6H2,1-4H3/t7-,8+,9?,10+/m0/s1
• InChIKey: AKKRBVFGAWFTRW-LBTMZUADSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3aR,5S,6aR)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane
• IUPAC Traditional name: 4-[(3aR,5S,6aR)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane
• Synonyms: 3-Deoxy-1,2:5,6-di-O-isopropyliden-α-D-ribo Hexafuranose; 3-Deoxy-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose

Database IDs

• CAS Number: 2774-29-0
• PubChem SID: 162260035
• PubChem CID: 13479274

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1626047
• LogD (pH = 7.4): 1.1626047
• Log P: 1.1626047
• Molar Refractivity: 59.2403 cm^3
• Polarizability: 24.19741 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Light-Yellow Liquid

DETAILS

Toronto Research Chemicals - D232815

An intermediate for 3-Deoxy-D-glucose.