6-BROMO-2-NAPHTHYL-ALPHA-D-GALACTOPYRANOSIDE

The α-D-Galactopyranoside,6-bromo-2-naphthalenyl, with the CAS registry number 25997-59-5, is also known as 6-Bromonaphthalen-2-yl α-D-galactopyranoside. It belongs to the product categories of Substrates; 13C & 2H Sugars; Carbohydrates & Derivatives. Its EINECS registry number is 247-398-4. This chemical's molecular formula is C₁₆H₁₇BrO₆ and molecular weight is 385.2066. What's more, its IUPAC name is (2R,3R,4S,5R,6R)-2-(6-Bromonaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol. Besides, it is a useful reagent for determination of alpha-D-Galactosidase activity.

Physical properties about α-D-Galactopyranoside,6-bromo-2-naphthalenyl are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.07; (6)ACD/BCF (pH 7.4): 6.07; (7)ACD/KOC (pH 5.5): 126.52; (8)ACD/KOC (pH 7.4): 126.51; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.38 Å²; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 87.49 cm³; (15)Molar Volume: 226.8 cm³; (16)Polarizability: 34.68×10^-24cm³; (17)Surface Tension: 68 dyne/cm; (18)Density: 1.698 g/cm³; (19)Flash Point: 321.9 °C; (20)Enthalpy of Vaporization: 95.08 kJ/mol; (21)Boiling Point: 608.6 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc3ccc2cc(O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)ccc2c3
(2) InChI: InChI=1/C16H17BrO6/c17-10-3-1-9-6-11(4-2-8(9)5-10)22-16-15(21)14(20)13(19)12(7-18)23-16/h1-6,12-16,18-21H,7H2/t12-,13+,14+,15-,16+/m1/s1
(3) InChIKey: NLRXQZJJCPRATR-CWVYHPPDBC