D-Mannose,2-deoxy-2-fluoro- (38440-79-8)

The 2-Deoxy-2-fluoro-D-mannose, with the CAS registry number 38440-79-8, is also called D-mannose, 2-deoxy-2-fluoro-. It is a kind of organics, and should be stored at dry and cool environment. The molecular formula of the chemical is C₆H₁₁FO₅.

The characteristics of 2-Deoxy-2-fluoro-D-mannose are as followings: (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): 1.23; (5)ACD/KOC (pH 7.4): 1.23; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 9; (9)Polar Surface Area: 97.99 Å²; (10)Index of Refraction: 1.505; (11)Molar Refractivity: 36.17 cm³; (12)Molar Volume: 121.8 cm³; (13)Polarizability: 14.33×10^-24cm³; (14)Surface Tension: 64.7 dyne/cm; (15)Density: 1.494 g/cm³; (16)Flash Point: 243.1 °C; (17)Enthalpy of Vaporization: 85.57 kJ/mol; (18)Boiling Point: 478.4 °C at 760 mmHg; (19)Vapour Pressure: 3.68E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O[C@H]([C@H](F)C=O)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4-,5-,6-/m1/s1
(3)InChIKey: AOYNUTHNTBLRMT-KVTDHHQDBF