Homoplantaginin supplier | CasNO.17680-84-1

Name
Homoplantaginin
EINECS
CAS No. 17680-84-1
Article Data2
CAS DataBase
Density 1.609 g/cm³
Solubility
Melting Point 256-258℃
Formula C₂₂H₂₂O₁₁
Boiling Point 798.1 °C at 760 mmHg
Molecular Weight 462.41
Flash Point 279.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Homoplantaginin(8CI);6-Methoxy apigenin-7-O glucoside;6-Methoxyapigenin 7-O-glucoside;Dinatin 7-glucoside;Dinatin 7-b-D-glucopyranoside;Hispidulin 7-O-glucopyranoside;Hispidulin 7-O-glucoside;Hispidulin 7-O-b-glucoside;Hispidulin 7-glucoside;Hispidulin 7-b-D-glucopyranoside;Hispidulin 7-b-glucoside;Hispiduloside;
PSA 179.28000
LogP 0.05850

Homoplantaginin Specification

The 4H-1-Benzopyran-4-one,7-(b-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-, with the CAS registry number 17680-84-1, has the systematic name of 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside. It belongs to the product category of Miscellaneous Natural Products. And the molecular formula of the chemical is C₂₂H₂₂O₁₁.

The characteristics of 4H-1-Benzopyran-4-one,7-(b-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy- are as followings: (1)ACD/LogP: -0.97; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -2.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.62; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 109.37 Å²; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 110.35 cm³; (15)Molar Volume: 287.2 cm³; (16)Polarizability: 43.74×10^-24cm³; (17)Surface Tension: 85.1 dyne/cm; (18)Density: 1.609 g/cm³; (19)Flash Point: 279.7 °C; (20)Enthalpy of Vaporization: 121.71 kJ/mol; (21)Boiling Point: 798.1 °C at 760 mmHg; (22)Vapour Pressure: 7.19E-27 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C3\C=C(/Oc2cc(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)c(OC)c(O)c23)c4ccc(O)cc4
(2)InChI: InChI=1/C22H22O11/c1-30-21-14(32-22-20(29)19(28)17(26)15(8-23)33-22)7-13-16(18(21)27)11(25)6-12(31-13)9-2-4-10(24)5-3-9/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22-/m1/s1
(3)InChIKey: GCLAFEGUXXHIFT-IWLDQSELBY

Product Name

Homoplantaginin

Homoplantaginin Specification

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