[(1S,6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol

• ChemBase ID: 167753
• Molecular Formular: C12H20O6
• Molecular Mass: 260.2836
• Monoisotopic Mass: 260.12598836
• SMILES: [C@@H]12[C@@H](C3[C@H](OC1CO)OC(O3)(C)C)OC(O2)(C)C
• Canonical SMILES: OCC1O[C@@H]2OC(OC2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
• InChI: InChI=1S/C12H20O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10,13H,5H2,1-4H3/t6?,7-,8-,9?,10+/m0/s1
• InChIKey: POORJMIIHXHXAV-WSBRJUKGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1S,6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,^6]dodecan-8-yl]methanol
• IUPAC Traditional name: [(1S,6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,^6]dodecan-8-yl]methanol
• Synonyms: 1,2:3,4-Bis-O-(1-methylethylidene)-α-D-galactopyranose; Diisopropylidenegalactose; 1,2:3,4-Di-O-isopropylidene-D-galactose; NSC 89756; 1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose

Database IDs

• CAS Number: 4064-06-6
• PubChem SID: 162261886
• PubChem CID: 70793572

CALCULATED PROPERTIES

• Acid pKa: 14.582551
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.47231
• LogD (pH = 7.4): 0.47230998
• 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

Physical Property

• Solubility: Acetone; Chloroform; Methanol
• Apperance: Thick Yellow Oil

Safety Information

• Storage Condition: Refrigerator