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| CAS No.: | 572-30-5 |
|---|---|
| Name: | AVICULARIN |
| Molecular Structure: | |
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| Formula: | C20H18O11 |
| Molecular Weight: | 434.356 |
| Synonyms: | Avicularoside;Quercetin3-a-L-arabinofuranoside;Avicularine;Quercetin 3-O-a-L-arabinofuranoside;Avicularin(6CI,7CI,8CI); |
| Density: | 1.86 g/cm3 |
| Melting Point: | 240-243oC |
| Boiling Point: | 828.1 °C at 760 mmHg |
| Flash Point: | 296.3 °C |
| Appearance: | White powder |
| PSA: | 190.28000 |
| LogP: | 0.10020 |
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Specification
The Avicularin, with CAS registry number 572-30-5, belongs to the following product category: Flavanols. It has the systematic name of 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl L-arabinopyranoside. Besides this, it is also called Quercetin-3-Arabinoside. And the chemical formula of this chemical is C20H18O11.
Physical properties of Avicularin: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 8.36; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 146.69; (8)ACD/KOC (pH 7.4): 4.39; (9)#H bond acceptors: 11; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 186.37 Å2; (13)Index of Refraction: 1.801; (14)Molar Refractivity: 99.84 cm3; (15)Molar Volume: 233.2 cm3; (16)Polarizability: 39.58×10-24cm3; (17)Surface Tension: 129.9 dyne/cm; (18)Density: 1.86 g/cm3; (19)Flash Point: 296.3 °C; (20)Enthalpy of Vaporization: 126.15 kJ/mol; (21)Boiling Point: 828.1 °C at 760 mmHg; (22)Vapour Pressure: 4.74E-29 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1O)C=3Oc4cc(O)cc(O)c4C(=O)C=3OC2OC[C@H](O)[C@H](O)[C@H]2O
(2)InChI: InChI=1/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20?/m0/s1
(3)InChIKey: PZZRDJXEMZMZFD-BSXBAJJABA
(4)Std. InChI: InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20?/m0/s1
(5)Std. InChIKey: PZZRDJXEMZMZFD-BSXBAJJASA-N