(6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-ol

• ChemBase ID: 131920
• Molecular Formular: C12H20O6
• Molecular Mass: 260.2836
• Monoisotopic Mass: 260.12598836
• SMILES: CC1(OCC(O1)[C@@H]1[C@H]2C(C(O1)O)OC(O2)(C)C)C
• Canonical SMILES: OC1O[C@@H]([C@H]2C1OC(O2)(C)C)C1COC(O1)(C)C
• InChI: InChI=1S/C12H20O6/c1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h6-10,13H,5H2,1-4H3/t6?,7-,8+,9?,10?/m1/s1
• InChIKey: JWWCLCNPTZHVLF-RGJLLFKYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-ol
• IUPAC Traditional name: (6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
• Synonyms: 2,3:5,6-Di-O-isopropylidene-α-D-mannofuranose; 2,3:5,6-二异亚丙基-D-甘露糖; 双丙酮-D-甘露糖

Database IDs

• CAS Number: 14131-84-1
• MDL Number: MFCD00134206
• Beilstein Number: 84382
• PubChem SID: 162226197
• PubChem CID: 16212320

CALCULATED PROPERTIES

• Acid pKa: 11.336936
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.47230938
• LogD (pH = 7.4): 0.47225985
• Log P: 0.47231
• Molar Refractivity: 60.3374 cm^3
• Polarizability: 24.877773 Å^3
• Polar Surface Area: 66.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

DETAILS

Sigma Aldrich - D8911

Application
糖苷酶抑制剂合成过程中的手性中间体。