1-Methyl-3-indolyl-beta-D-galactopyranoside (207598-26-3)

The 1-Methyl-3-indolyl-beta-D-galactopyranoside, with cas registry number 207598-26-3, has the systematic name of 1-methyl-1H-indol-3-yl β-D-galactopyranoside. And it is also called N-Methylindoxy-beta-D-galactopyranoside. This chemical should store at the temperature of 2-8°C. What's more, when use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 15.41; (5)ACD/KOC (pH 7.4): 15.41; (6)#H bond acceptors: 7; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 60.31 Å²; (10)Index of Refraction: 1.659; (11)Molar Refractivity: 73.98 cm³; (12)Molar Volume: 200.5 cm³; (13)Polarizability: 29.32×10^-24cm³; (14)Surface Tension: 59.3 dyne/cm; (15)Enthalpy of Vaporization: 91.83 kJ/mol; (16)Vapour Pressure: 1.71E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cn(c2ccccc12)C)[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO
(2)InChI: InChI=1/C15H19NO6/c1-16-6-10(8-4-2-3-5-9(8)16)21-15-14(20)13(19)12(18)11(7-17)22-15/h2-6,11-15,17-20H,7H2,1H3/t11-,12+,13+,14-,15-/m1/s1
(3)InChIKey: FDECOIVNOJUVCV-GZBLMMOJBD
(4)Std. InChI: InChI=1S/C15H19NO6/c1-16-6-10(8-4-2-3-5-9(8)16)21-15-14(20)13(19)12(18)11(7-17)22-15/h2-6,11-15,17-20H,7H2,1H3/t11-,12+,13+,14-,15-/m1/s1
(5)Std. InChIKey: FDECOIVNOJUVCV-GZBLMMOJSA-N