Products Categories
| CAS No.: | 5041-81-6 |
|---|---|
| Name: | Isoliquiritin |
| Molecular Structure: | |
|
|
|
| Formula: | C21H22O9 |
| Molecular Weight: | 418.4 |
| Synonyms: | 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-[4-(.beta.-D-glucopyranosyloxy)phenyl]-, (2E)-;Isoliquiritoside;2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-(beta-D-glucopyranosyloxy)phenyl)-, (2E)-;(E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one;4-[(1E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenyl β-D-glucopyranoside;(E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one; |
| EINECS: | 1308068-626-2 |
| Density: | 1.528 g/cm3 |
| Melting Point: | 185-186oC |
| Boiling Point: | 743.5 °C at 760 mmHg |
| Flash Point: | 263.2 °C |
| PSA: | 156.91000 |
| LogP: | 0.17260 |
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
What can I do for you?
Get Best Price
Specification
The 2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3- [4-(â-D-glucopyranosyloxy)phenyl]-,(2E)-, with the CAS registry number 5041-81-6, has the systematic name of 4-[(1E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenyl β-D-glucopyranoside. It belongs to the product category of Miscellaneous Natural Products. And the molecular formula of the chemical is C21H22O9.
The characteristics of 2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3- [4-(â-D-glucopyranosyloxy)phenyl]-,(2E)- are as followings: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 2.19; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 60.76; (8)ACD/KOC (pH 7.4): 25.19; (9)#H bond acceptors: 9; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 90.91 Å2; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 106.57 cm3; (15)Molar Volume: 273.7 cm3; (16)Polarizability: 42.25×10-24cm3; (17)Surface Tension: 76.9 dyne/cm; (18)Density: 1.528 g/cm3; (19)Flash Point: 263.2 °C; (20)Enthalpy of Vaporization: 113.77 kJ/mol; (21)Boiling Point: 743.5 °C at 760 mmHg; (22)Vapour Pressure: 3.26E-23 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(O)cc1O)\C=C\c3ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc3
(2)InChI: InChI=1/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1
(3)InChIKey: YNWXJFQOCHMPCK-LXGDFETPBK