| Identification | |
| Name: | b-D-Glucopyranoside, 4-nitrophenyl4-O-b-D-glucopyranosyl- |
| Synonyms: | Cellobioside,p-nitrophenyl (7CI);Cellobioside, p-nitrophenyl, b-D- (8CI);p-Nitrophenyl cellobioside;p-Nitrophenyl b-D-cellobioside;p-Nitrophenyl b-cellobioside; |
| CAS: | 3482-57-3 |
| Molecular Formula: | C18H25NO13 |
| Molecular Weight: | 463.39 |
| InChI: | InChI=1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18+/m1/s1 |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 435 ºC |
| Boiling Point: | 795.6 ºC at 760 mmHg |
| Density: | 1.7 g/cm3 |
| Refractive index: | 1.67 |
| Water Solubility: | methanol: water (2:3): 50 mg/mL, clear, faintly yellow |
| Solubility: | methanol: water (2:3): 50 mg/mL, clear, faintly yellow |
| Appearance: | Off-White Powder |
| Specification: |
The 4-Nitrophenyl beta-D-cellobioside with the cas number 3482-57-3 is also called b-D-Glucopyranoside, 4-nitrophenyl4-O-b-D-glucopyranosyl-. The IUPAC name is (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol. This chemical belongs to the following product categories: (1)Sugars, Carbohydrates &Glucosides; (2)Substrates; (3)Oligosaccharides. It should be stored at 2-8°C. The properties of the chemical are: (1)ACD/LogP: -1.87; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.87; (4)ACD/LogD (pH 7.4): -1.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.28; (8)ACD/KOC (pH 7.4): 2.28; (9)#H bond acceptors: 14; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 147.35Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 101.75 cm3; (15)Molar Volume: 272.2 cm3; (16)Polarizability: 40.33×10-24cm3; (17)Surface Tension: 100.8 dyne/cm; (18)Enthalpy of Vaporization: 121.34 kJ/mol; (19)Vapour Pressure: 1.07×10-26 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Flash Point: | 435 ºC |
| Storage Temperature: | 2-8°C |
| Safety Data | |
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