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| CAS No.: | 51146-53-3 |
|---|---|
| Name: | 2-FLUORO-2-DEOXY-D-GALACTOPYRANOSE |
| Molecular Structure: | |
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| Formula: | C6H11FO5 |
| Molecular Weight: | 182.149 |
| Synonyms: | 2-Deoxy-2-fluoro-D-galactose; |
| Density: | 1.494 g/cm3 |
| Melting Point: | 131-135 °C |
| Boiling Point: | 478.4 °C at 760 mmHg |
| Flash Point: | 243.1 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 90.15000 |
| LogP: | -2.24420 |
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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