3-[4-(acetyloxy)phenyl]-7-[(tert-butyldimethylsilyl)oxy]-4-oxo-4H-chromen-5-yl acetate

• ChemBase ID: 166770
• Molecular Formular: C25H28O7Si
• Molecular Mass: 468.57112
• Monoisotopic Mass: 468.16042977
• SMILES: c1c(cc2c(c1OC(=O)C)c(=O)c(co2)c1ccc(cc1)OC(=O)C)O[Si](C)(C)C(C)(C)C
• Canonical SMILES: CC(=O)Oc1cc(cc2c1c(=O)c(co2)c1ccc(cc1)OC(=O)C)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C25H28O7Si/c1-15(26)30-18-10-8-17(9-11-18)20-14-29-21-12-19(32-33(6,7)25(3,4)5)13-22(31-16(2)27)23(21)24(20)28/h8-14H,1-7H3
• InChIKey: IECOGDOVGZBVFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(acetyloxy)phenyl]-7-[(tert-butyldimethylsilyl)oxy]-4-oxo-4H-chromen-5-yl acetate
• IUPAC Traditional name: 3-[4-(acetyloxy)phenyl]-7-[(tert-butyldimethylsilyl)oxy]-4-oxochromen-5-yl acetate
• Synonyms: 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4H-1-Benzopyran-4-one; 4',5-Di-O-acetyl-7-O-tert-butyldimethylsilyl Genistein

Database IDs

• CAS Number: 470666-99-0
• PubChem SID: 162260903
• PubChem CID: 70133153

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.5893
• LogD (pH = 7.4): 4.5893
• Log P: 4.5893
• Molar Refractivity: 119.834 cm^3
• Polarizability: 48.809914 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane
• Apperance: Colourless Solid

DETAILS

Toronto Research Chemicals - D326995

Protected Genistein.