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CAS No.: | 34168-77-9 |
---|---|
Name: | 6-FLUORO-6-DEOXY-D-GLUCOPYRANOSE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C6H11FO5 |
Molecular Weight: | 182.15 |
Synonyms: | Glucopyranose,6-deoxy-6-fluoro-, D- (8CI); |
Density: | 1.626 g/cm3 |
Melting Point: | 133-138 °C |
Boiling Point: | 354.6 °C at 760 mmHg |
Flash Point: | 164.2 °C |
Appearance: | colourless solid |
Risk Codes: | 20/21/22 |
Safety: | 22-36/37/39 |
PSA: | 90.15000 |
LogP: | -2.24420 |
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The D-Glucopyranose, 6-deoxy-6-fluoro-, with the CAS registry number of 34168-77-9, is also known as 6-Fluoro-6-deoxy-D-glucopyranose and 6-Fluoro-6-deoxy-glucose. It belongs to the product categories of Miscellaneous Biochemicals; 13C & 2H Sugars; Carbohydrates & Derivatives. This chemical's molecular formula is C6H11FO5 and molecular weight is 182.15. What's more, its IUPAC name is (2R, 3R, 4S, 5S, 6S)-6-(Fluoromethyl)oxane-2, 3, 4, 5-tetrol. Besides, it must be stored at 2-8 °C.
Physical properties about D-Glucopyranose, 6-deoxy-6-fluoro- are: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.34; (4)ACD/LogD (pH 7.4): -0.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.49; (8)ACD/KOC (pH 7.4): 15.49; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 35.88 cm3; (15)Molar Volume: 111.9 cm3; (16)Surface Tension: 55.4 dyne/cm; (17)Density: 1.626 g/cm3; (18)Flash Point: 164.2 °C; (19)Enthalpy of Vaporization: 69.43 kJ/mol; (20)Boiling Point: 354.6 °C at 760 mmHg; (21)Vapour Pressure: 1.9E-06 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. In addition, the dust of this chemical can not be breathed. During using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: FC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
(2) InChI: InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
(3) InChIKey: SHFYXYMHVMDNPY-GASJEMHNBL