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4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-rel-

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Name

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-rel-

EINECS N/A
CAS No. 24198-97-8 Density 1.702 g/cm3
PSA 127.45000 LogP 1.18630
Solubility N/A Melting Point 239-240 °C
Formula C15H12O7 Boiling Point 687.6 °C at 760 mmHg
Molecular Weight 304.256 Flash Point 264.2 °C
Transport Information N/A Appearance White to White with Yellow Cast Powder
Safety 36-26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 24198-97-8 ((+/-)-TAXIFOLIN) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, trans-(?à)- (8CI);(?à)-Dihydroquercetin;(?à)-Taxifolin;

Article Data 15

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-rel- Specification

The 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-rel- is an organic compound with the formula C15H12O7. The IUPAC name of this chemical is (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one. With the CAS registry number 24198-97-8, it is also named as Distylin. The product's categories are Dihydro-Flavanols; Tyrosine Kinase Inhibitors.

Physical properties about 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-rel- are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 7; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 72.45 Å2; (7)Index of Refraction: 1.762; (8)Molar Refractivity: 73.72 cm3; (9)Molar Volume: 178.6 cm3; (10)Polarizability: 29.22×10-24cm3; (11)Surface Tension: 100.4 dyne/cm; (12)Density: 1.702 g/cm3; (13)Flash Point: 264.2 °C; (14)Enthalpy of Vaporization: 105.87 kJ/mol; (15)Boiling Point: 687.6 °C at 760 mmHg; (16)Vapour Pressure: 7.51E-20 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c3c(O[C@H](c1ccc(O)c(O)c1)[C@H]2O)cc(O)cc3O
(2)InChI: InChI=1/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
(3)InChIKey: CXQWRCVTCMQVQX-LSDHHAIUBE
(4)Std. InChI: InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
(5)Std. InChIKey: CXQWRCVTCMQVQX-LSDHHAIUSA-N

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