[(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol

• ChemBase ID: 304280
• Molecular Formular: C22H28O6
• Molecular Mass: 388.45412
• Monoisotopic Mass: 388.18858862
• SMILES: [C@@H]1(Cc2ccc(c(c2)OC)OC)[C@@H]([C@H](OC1)c1ccc(c(c1)OC)OC)CO
• Canonical SMILES: OC[C@H]1[C@H](CO[C@@H]1c1ccc(c(c1)OC)OC)Cc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C22H28O6/c1-24-18-7-5-14(10-20(18)26-3)9-16-13-28-22(17(16)12-23)15-6-8-19(25-2)21(11-15)27-4/h5-8,10-11,16-17,22-23H,9,12-13H2,1-4H3/t16-,17-,22+/m0/s1
• InChIKey: AYWPHVUFQNWITL-PNLZDCPESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol
• IUPAC Traditional name: [(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol
• Synonyms: Lariciresinol dimethyl ether

Database IDs

• CAS Number: 67560-68-3

CALCULATED PROPERTIES

• Acid pKa: 15.36458
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.5970984
• LogD (pH = 7.4): 2.5970984
• Log P: 2.5970984
• Molar Refractivity: 106.1582 cm^3
• Polarizability: 41.55541 Å^3
• Polar Surface Area: 66.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil

Product Information

• Purity: 97.5