(2R,3R)-5-methoxy-3-methyl-7-(prop-2-en-1-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine

• ChemBase ID: 127372
• Molecular Formular: C22H26O6
• Molecular Mass: 386.43824
• Monoisotopic Mass: 386.17293855
• SMILES: O1c2c(O[C@@H]([C@H]1c1cc(OC)c(OC)c(OC)c1)C)c(OC)cc(c2)CC=C
• Canonical SMILES: C=CCc1cc2O[C@@H]([C@H](Oc2c(c1)OC)C)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C22H26O6/c1-7-8-14-9-16(23-3)22-19(10-14)28-20(13(2)27-22)15-11-17(24-4)21(26-6)18(12-15)25-5/h7,9-13,20H,1,8H2,2-6H3/t13-,20+/m1/s1
• InChIKey: BVNKWNRETUIZFZ-XCLFUZPHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R)-5-methoxy-3-methyl-7-(prop-2-en-1-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine
• IUPAC Traditional name: (2R,3R)-5-methoxy-3-methyl-7-(prop-2-en-1-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine
• Synonyms: Eusiderin

Database IDs

• CAS Number: 127420-50-2
• PubChem SID: 162221693
• PubChem CID: 11395057
• Chemspider ID: 9569958
• Wikipedia Title: Eusiderin

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.1550794
• LogD (pH = 7.4): 4.1550794
• Log P: 4.1550794
• Molar Refractivity: 105.8571 cm^3
• Polarizability: 41.427387 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true