[8-(hydroxymethyl)-2,6-diphenyl-hexahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol

• ChemBase ID: 166905
• Molecular Formular: C20H22O6
• Molecular Mass: 358.38508
• Monoisotopic Mass: 358.14163842
• SMILES: C1(OC(OC2C1OC(OC2CO)c1ccccc1)c1ccccc1)CO
• Canonical SMILES: OCC1OC(OC2C1OC(OC2CO)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H22O6/c21-11-15-18-17(25-19(23-15)13-7-3-1-4-8-13)16(12-22)24-20(26-18)14-9-5-2-6-10-14/h1-10,15-22H,11-12H2
• InChIKey: WZACICAIHONNQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [8-(hydroxymethyl)-2,6-diphenyl-hexahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
• IUPAC Traditional name: [8-(hydroxymethyl)-2,6-diphenyl-hexahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
• Synonyms: 2,4:3,5-Di-O-benzylidene-L-iditol

Database IDs

• PubChem SID: 162261038
• PubChem CID: 427988

CALCULATED PROPERTIES

• Acid pKa: 14.281045
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.6001396
• LogD (pH = 7.4): 2.6001396
• Log P: 2.6001396
• Molar Refractivity: 92.1708 cm^3
• Polarizability: 37.213867 Å^3
• Polar Surface Area: 77.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO
• Apperance: White Solid