(3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one

• ChemBase ID: 304219
• Molecular Formular: C22H26O6
• Molecular Mass: 386.43824
• Monoisotopic Mass: 386.17293855
• SMILES: c1(c(ccc(c1)C[C@@H]1[C@H](COC1=O)Cc1ccc(c(c1)OC)OC)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)C[C@H]1C(=O)OC[C@@H]1Cc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1
• InChIKey: SNAOLIMFHAAIER-DLBZAZTESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
• IUPAC Traditional name: (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
• Synonyms: 2,3-Bis(3,4-dimethoxybenzyl)butyrolactone; Dimethylmatairesinol

Database IDs

• CAS Number: 25488-59-9

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.5835707
• LogD (pH = 7.4): 3.5835707
• Log P: 3.5835707
• Molar Refractivity: 104.599 cm^3
• Polarizability: 41.090157 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Product Information

• Purity: 98.5