D-Xylose,3-deoxy-3-fluoro- (14537-01-0)

The 3-Deoxy-3-fluoro-D-xylofuranose, with the cas registry number 14537-01-0, is also called 3-fluoro-3-deoxy-d-xylofuranose. And the molecular formula of the chemical is C₅H₉FO₄.

The characteristics of this chemical are as followings: (1)ACD/LogP: -0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.89; (4)ACD/LogD (pH 7.4): -0.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.8; (8)ACD/KOC (pH 7.4): 7.8; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 36.92 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 29.52 cm³; (15)Molar Volume: 99.6 cm³; (16)Polarizability: 11.7×10^-24cm³; (17)Surface Tension: 56.3 dyne/cm; (18)Density: 1.52 g/cm³; (19)Flash Point: 149.5 °C; (20)Enthalpy of Vaporization: 64.73 kJ/mol; (21)Boiling Point: 317 °C at 760 mmHg; (22)Vapour Pressure: 3.32E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and do not breathe dust.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: F[C@H]1[C@H](OC(O)[C@@H]1O)CO
(2)InChI: InChI=1/C5H9FO4/c6-3-2(1-7)10-5(9)4(3)8/h2-5,7-9H,1H2/t2-,3+,4-,5?/m1/s1
(3)InChIKey: NZBLAOXQXYQYNW-IOVATXLUBV