b-D-Glucopyranoside, ethyl (3198-49-0)

The Ethyl D-glucopyranoside, with the cas registry number of 3198-49-0 , has the IUPAC name of (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol and it is also called Ethyl glucoside. The molecular formula of the chemical is C₈H₁₆O₆.

The characteristics of this chemical are as followings: (1)ACD/LogP: -2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.16; (4)ACD/LogD (pH 7.4): -2.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.59; (8)ACD/KOC (pH 7.4): 1.59; (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: 1.54; (14)Molar Refractivity: 46.55 cm³; (15)Molar Volume: 148.3 cm³; (16)Polarizability: 18.45×10^-24cm³; (17)Surface Tension: 63.8 dyne/cm; (18)Density: 1.4 g/cm³; (19)Flash Point: 192.7 °C; (20)Enthalpy of Vaporization: 74.59 kJ/mol; (21)Boiling Point: 395.1 °C at 760 mmHg; (22)Vapour Pressure: 7.02E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(CC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
(2)InChI: InChI=1/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8-/m1/s1
(3)InChIKey: WYUFTYLVLQZQNH-JAJWTYFOBO