Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Deoxy-2-fluoro-D-mannose |
EINECS | N/A |
CAS No. | 38440-79-8 | Density | 1.494 g/cm3 |
PSA | 97.99000 | LogP | -2.40160 |
Solubility | N/A | Melting Point |
136-137 °C |
Formula | C6H11FO5 | Boiling Point | 478.4 °C at 760 mmHg |
Molecular Weight | 182.149 | Flash Point | 243.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Deoxy-2-fluoro-D-mannose;2-Fluoro-2-deoxy-D-mannose;D-mannose, 2-deoxy-2-fluoro-;2-deoxy-2-fluoromannose; |
Article Data | 2 |
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