Dihydrokaempferol

The 4H-1-Benzopyran-4-one,2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)-, with the CAS registry number 480-20-6, is also known as 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, (2R-trans)-. It belongs to the product category of Flavanones. This chemical's molecular formula is C₁₅H₁₂O₆ and molecular weight is 288.2522. What's more, its IUPAC name is (2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.

Physical properties about 4H-1-Benzopyran-4-one,2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)- are: (1)ACD/LogP: 2.42; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 39.63; (6)ACD/BCF (pH 7.4): 13.41; (7)ACD/KOC (pH 5.5): 481.42; (8)ACD/KOC (pH 7.4): 162.92; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.22 Å²; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 71.84 cm³; (15)Molar Volume: 180.2 cm³; (16)Polarizability: 28.48×10^-24 cm³; (17)Surface Tension: 86.9 dyne/cm; (18)Density: 1.599 g/cm³; (19)Flash Point: 247.3 °C; (20)Enthalpy of Vaporization: 99.18 kJ/mol; (21)Boiling Point: 639 °C at 760 mmHg; (22)Vapour Pressure: 3.32E-17 mmHg at 25 °C.

Preparation of 4H-1-Benzopyran-4-one,2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)-: this chemical can be prepared by (2R*,3S*)-Tetrakis(O-methoxymethyl)isosalipurpol epoxide. This reaction needs reagent HCl and solvent Methanol at temperature of 50 °C. The reaction time is 15 min. The yield is 89%.

Use of 4H-1-Benzopyran-4-one,2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)-: it can react with Acetic acid anhydride to give (+/-)-Aromadendrin tetraacetate. The reaction occurs with reagent Pyridine and other condition of heating for 20 hours. The yield is 83%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c3c(O[C@H](c1ccc(O)cc1)[C@H]2O)cc(O)cc3O
(2) InChI: InChI=1/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1
(3) InChIKey: PADQINQHPQKXNL-LSDHHAIUBO