a-D-Mannopyranoside, 4-aminophenyl (34213-86-0)

The 4-Aminophenyl-alpha-D-mannopyranoside, with the CAS registry number 34213-86-0, is also called 4-Aminophenyl-alpha-D-mannoside. It belongs to the following product categories: 13C & 2H Sugars; Carbohydrates & Derivatives; Carbohydrates; Carbohydrates A to; Carbohydrates A-CBiochemicals and Reagents; Monosaccharide. It is a kind of white cyrstalline solid and should be stored at 2-8°C. The molecular formula of the chemical is C₁₂H₁₇NO₆.
 
The characteristics of this chemical are as followings: (1)ACD/LogP: -1.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.93; (4)ACD/LogD (pH 7.4): -1.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.96; (8)ACD/KOC (pH 7.4): 2.34; (9)#H bond acceptors: 7; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 58.62 Å²; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 66.19 cm³; (15)Molar Volume: 178.7 cm³; (16)Polarizability: 26.24×10^-24cm³; (17)Surface Tension: 73.2 dyne/cm; (18)Density: 1.517 g/cm³; (19)Flash Point: 290 °C; (20)Enthalpy of Vaporization: 88.1 kJ/mol; (21)Boiling Point: 555.9 °C at 760 mmHg; (22)Vapour Pressure: 3.43E-13 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1ccc(N)cc1)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO
(2)InChI: InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10+,11+,12+/m1/s1
(3)InChIKey: MIAKOEWBCMPCQR-GCHJQGSQBL