(2R,4R)-2,4-bis(3,4,5-trimethoxyphenyl)-1,3-dioxolane

• ChemBase ID: 162434
• Molecular Formular: C21H26O8
• Molecular Mass: 406.42634
• Monoisotopic Mass: 406.16276779
• SMILES: O1C[C@H](O[C@@H]1c1cc(c(c(c1)OC)OC)OC)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)[C@@H]1CO[C@H](O1)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C21H26O8/c1-22-14-7-12(8-15(23-2)19(14)26-5)18-11-28-21(29-18)13-9-16(24-3)20(27-6)17(10-13)25-4/h7-10,18,21H,11H2,1-6H3/t18-,21+/m0/s1
• InChIKey: DUAYHYGJMLZLCE-GHTZIAJQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,4R)-2,4-bis(3,4,5-trimethoxyphenyl)-1,3-dioxolane
• IUPAC Traditional name: (2R,4R)-2,4-bis(3,4,5-trimethoxyphenyl)-1,3-dioxolane
• Synonyms: (2R,4R)-rel-2,4-Bis(3,4,5-trimethoxyphenyl)-1,3-dioxolane; trans-2,4-Bis(3,4,5-trimethoxyphenyl)-1,3-dioxolane; Bis-(3,4,5-trimethoxyphenyl)-1,3-dioxolane

Database IDs

• CAS Number: 116673-45-1
• PubChem SID: 162256569
• PubChem CID: 40425532

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 2.7946126
• LogD (pH = 7.4): 2.7946126
• Log P: 2.7946126
• Molar Refractivity: 104.4992 cm^3
• Polarizability: 41.26377 Å^3
• Polar Surface Area: 73.84 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - B585500

A potent and selective platlet activating factor.

REFERENCES

• Corey, E.J. et al.: Tetrahedron Letters 29(24)
• 2899-2902 (24)
• Dupre, D., et al.: J. Pharmacol. Exp. Ther., 299, 358 (24)