Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Cynaroside |
EINECS | 226-365-8 |
CAS No. | 5373-11-5 | Density | 1.714 g/cm3 |
PSA | 190.28000 | LogP | -0.24450 |
Solubility | N/A | Melting Point |
256~258℃ |
Formula | C21H20O11 | Boiling Point | 838.089 °C at 760 mmHg |
Molecular Weight | 448.383 | Flash Point | 296.779 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Luteolin 7-O-b-glucopyranoside;Luteolin 7-glucoside;Luteolin 7-b-D-glucoside;Luteolin 7-b-glucoside;Luteoloside;Nephrocizin;Cynaroside(7CI,8CI);Luteolin, 7-b-D-glucopyranoside (6CI);7-b-D-Glucosylluteolin;Cinaroside;Luteolin 7-O-glucoside;Luteolin 7-O-b-D-glucopyranoside; |
Article Data | 12 |
The IUPAC name of 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy- is 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one. With the CAS registry number 5373-11-5, it is also named as Cinaroside. The product's category is Tetra-substituted Flavones. In addition, its molecular formula is C21H20O11 and molecular weight is 448.38.
The other characteristics of 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy- can be summarized as: (1)EINECS: 226-365-8; (2)ACD/LogP: -0.09; (3)# of Rule of 5 Violations: 2; (4)ACD/LogD (pH 5.5): -0.19; (5)ACD/LogD (pH 7.4): -1.42; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 16.86; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 11; (11)#H bond donors: 7; (12)#Freely Rotating Bonds: 11; (13)Polar Surface Area: 109.37 Å2; (14)Index of Refraction: 1.74; (15)Molar Refractivity: 105.55 cm3; (16)Molar Volume: 261.6 cm3; (17)Polarizability: 41.84×10-24cm3; (18)Surface Tension: 100.8 dyne/cm; (19)Density: 1.713 g/cm3; (20)Flash Point: 296.8 °C; (21)Enthalpy of Vaporization: 127.65 kJ/mol; (22)Boiling Point: 838.1 °C at 760 mmHg; (23)Vapour Pressure: 8.25E-30 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C\3c4c(O)cc(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)cc4O/C(c2ccc(O)c(O)c2)=C/3
(2)InChI: InChI=1/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
(3)InChIKey: PEFNSGRTCBGNAN-QNDFHXLGBE
(4)Std. InChI: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
(5)Std. InChIKey: PEFNSGRTCBGNAN-QNDFHXLGSA-N