CAS No.22255-13-6,guajavarin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22255-13-6
Name:	guajavarin
Article Data:	2

Formula:	C₂₀H₁₈O₁₁
Molecular Weight:	434.356
Synonyms:	Guaijaverin(6CI,7CI,8CI);Arabinopyranoside, quercetin-3, a-L- (8CI);3',4',5,7-Tetrahydroxyflavone 3-O-a-L-arabinoside;Feniculin;Feniculine;Foeniculin;Foeniculin (glycoside);Guaiaverin;Guajavarin;Quercetin 3-O-a-L-arabinopyranoside;Quercetin 3-a-L-arabinopyranoside;Quercetin-3-O-a-L-arabinoside;
Density:	1.863 g/cm³
Melting Point:	237-239 °C
Boiling Point:	828.061 °C at 760 mmHg
Flash Point:	296.325 °C
PSA:	190.28000
LogP:	0.10020

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Specification

The 4H-1-Benzopyran-4-one,3-(a-L-arabinopyranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, with CAS registry number 22255-13-6, has the systematic name of 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl alpha-L-arabinopyranoside. And the chemical formula of this chemical is C₂₀H₁₈O₁₁.

Physical properties of 4H-1-Benzopyran-4-one,3-(a-L-arabinopyranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-: (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): 146.7; (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: 109.37 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: O=C3c4c(O)cc(O)cc4O/C(c1ccc(O)c(O)c1)=C3/O[C@@H]2OC[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-IEGSVRCHBU
(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-IEGSVRCHSA-N