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2-Fluoro-2-deoxy-D-glucose

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Name

2-Fluoro-2-deoxy-D-glucose

EINECS N/A
CAS No. 51146-53-3 Density 1.494 g/cm3
PSA 90.15000 LogP -2.24420
Solubility N/A Melting Point 131-135 °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 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 51146-53-3 (2-FLUORO-2-DEOXY-D-GALACTOPYRANOSE) Hazard Symbols Xi
Synonyms

2-Deoxy-2-fluoro-D-galactose;

Article Data 2

2-Fluoro-2-deoxy-D-glucose Specification

The cas register number of 2-Fluoro-2-deoxy-D-glucose is 51146-53-3. It also can be called as 2-Deoxy-2-(18F)fluoro-D-galactose and the Systematic name about this chemical is (2R,3S,4S,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal.

Physical properties about 2-Fluoro-2-deoxy-D-glucose are: (1)ACD/LogP: -2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.37; (4) ACD/LogD (pH 7.4): -2.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.23; (8)ACD/KOC (pH 7.4): 1.23; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 53.99Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 36.17 cm3; (15)Molar Volume: 121.8 cm3; (16)Surface Tension: 64.7 dyne/cm; (17)Density: 1.494 g/cm3; (18)Flash Point: 243.1 °C; (19)Enthalpy of Vaporization: 85.57 kJ/mol; (20)Boiling Point: 478.4 °C at 760 mmHg; (21)Vapour Pressure: 3.68E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C[C@H](F)[C@@H](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-/m0/s1 
3.InChIKey: AOYNUTHNTBLRMT-KCDKBNATBF
4.Std. InChI: InChI=1S/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6-/m0/s1

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