[(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methanol

• ChemBase ID: 173839
• Molecular Formular: C9H16O5
• Molecular Mass: 204.22034
• Monoisotopic Mass: 204.09977361
• SMILES: [C@@H]12[C@@H]([C@H](O[C@H]1OC)CO)OC(O2)(C)C
• Canonical SMILES: CO[C@@H]1O[C@@H]([C@@H]2[C@H]1OC(O2)(C)C)CO
• InChI: InChI=1S/C9H16O5/c1-9(2)13-6-5(4-10)12-8(11-3)7(6)14-9/h5-8,10H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1
• InChIKey: DXBHDBLZPXQALN-WCTZXXKLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methanol
• IUPAC Traditional name: [(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol
• Synonyms: Methyl 2,3-O-(1-Methylethylidene)-β-D-ribofuranoside; NSC 85191; Methyl 2,3-O-Isopropylidene-β-D-ribofuranoside; Methyl 2,3-o-isopropylidene-beta-D-ribofuranoside

Database IDs

• CAS Number: 4099-85-8
• MDL Number: MFCD00270040
• PubChem SID: 164229749
• PubChem CID: 96666

CALCULATED PROPERTIES

• Acid pKa: 14.5824175
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.043346845
• LogD (pH = 7.4): 0.043346815
• Log P: 0.043346845
• Molar Refractivity: 46.9191 cm^3
• Polarizability: 19.370415 Å^3
• Polar Surface Area: 57.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethanol; Ethyl Acetate; Methanol
• Apperance: Colourless to Pale Yellow Liquid
• Boiling Point: 75°C/0.3mm

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 95+%