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CAS No.: | 6032-32-2 |
---|---|
Name: | 4-METHOXYPHENYL BETA-D-GLUCOPYRANOSIDE |
Article Data: | 52 |
Molecular Structure: | |
Formula: | C13H18O7 |
Molecular Weight: | 286.282 |
Synonyms: | Glucopyranoside,p-methoxyphenyl, b-D-(7CI,8CI);4-Methoxyphenyl b-D-glucopyranoside;Methylarbutin;Methylhydroquinone glucoside;p-Methoxyphenyl b-D-glucopyranoside;p-Methoxyphenyl b-D-glucoside; |
EINECS: | 804-152-6 |
Density: | 1.427 g/cm3 |
Melting Point: | 176 °C |
Boiling Point: | 519 °C at 760 mmHg |
Flash Point: | 267.7 °C |
Solubility: | Soluble in DMSO or water |
Appearance: | white to light yellow crystal powde |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 108.61000 |
LogP: | -1.12610 |
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This chemical is called beta-D-Glucopyranoside, 4-methoxyphenyl, and its systematic name is 4-methoxyphenyl beta-D-glucopyranoside. With the molecular formula of C13H18O7, its molecular weight is 286.28. The CAS registry number of this chemical is 6032-32-2. Additionally, its product categories are Biochemistry; Glycosides; Sugars.
Other characteristics of the beta-D-Glucopyranoside, 4-methoxyphenyl can be summarised as followings: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.5; (8)ACD/KOC (pH 7.4): 9.5; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 64.61 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 68.63 cm3; (15)Molar Volume: 200.5 cm3; (16)Polarizability: 27.21×10-24cm3; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.427 g/cm3; (19)Flash Point: 267.7 °C; (20)Enthalpy of Vaporization: 83.35 kJ/mol; (21)Boiling Point: 519 °C at 760 mmHg; (22)Vapour Pressure: 1.34E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O(c1ccc(OC)cc1)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO
2.InChI: InChI=1/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1
3.InChIKey: SIXFVXJMCGPTRB-UJPOAAIJBY