b-D-Glucopyranose,2-(acetylamino)-2-deoxy- (14131-68-1)

The 2-Acetamido-2-deoxy-beta-D-glucopyranosylamine, with CAS registry number of 14131-68-1, has the systematic name of 2-(acetylamino)-2-deoxy-beta-D-glucopyranose. And it is also named beta-D-glucopyranose, 2-(acetylamino)-2-deoxy- and N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Physical properties about this chemical are: (1)ACD/LogP: -2.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.48; (4)ACD/LogD (pH 7.4): -2.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.07; (8)ACD/KOC (pH 7.4): 1.07; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 66.46 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 48.57 cm³; (15)Molar Volume: 146.8 cm³; (16)Polarizability: 19.25×10^-24cm³; (17)Surface Tension: 75.1 dyne/cm; (18)Enthalpy of Vaporization: 101.81 kJ/mol; (19)Vapour Pressure: 1.18E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1O)CO)C
(2)InChI: InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
(3)InChIKey: OVRNDRQMDRJTHS-FMDGEEDCBL
(4)Std. InChI: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
(5)Std. InChIKey: OVRNDRQMDRJTHS-FMDGEEDCSA-N