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| CAS No.: | 14049-03-7 |
|---|---|
| Name: | 3-DEOXY-3-FLUORO-D-GLUCOSE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H11FO5 |
| Molecular Weight: | 182.149 |
| Synonyms: | 3-Deoxy-3-fluoro-D-glucose;3-Fluoro-3-deoxy-D-glucose;3-Fluorodeoxyglucose; |
| Density: | 1.494 g/cm3 |
| Melting Point: | 115-117 °C(lit.) |
| Boiling Point: | 503.2 °C at 760 mmHg |
| Flash Point: | 258.1 °C |
| Solubility: | H2O: 50 mg/mL, clear, colorless |
| Appearance: | white to light yellow crystal powde |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 20/21/22 |
| Safety: | 22-24/25 |
| PSA: | 90.15000 |
| LogP: | -2.24420 |
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- Total:23 Page 1 of 1 1
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Specification
This chemical is called D-Glucose, 3-deoxy-3-fluoro-, and its systematic name is 3-Deoxy-3-fluoro-D-glucose. With the molecular formula of C6H11FO5, its molecular weight is 182.15. The CAS registry number of this chemical is 14049-03-7. Additionally, its product categories are 13C & 2H Sugars; Florinated Sugars; Carbohydrates & Derivatives.
Other characteristics of the D-Glucose, 3-deoxy-3-fluoro- can be summarised as followings: (1)ACD/LogP: -1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.81; (4)ACD/LogD (pH 7.4): -1.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.47; (8)ACD/KOC (pH 7.4): 2.47; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 36.17 cm3; (15)Molar Volume: 121.8 cm3; (16)Polarizability: 14.33×10-24cm3; (17)Surface Tension: 64.7 dyne/cm; (18)Density: 1.494 g/cm3; (19)Flash Point: 258.1 °C; (20)Enthalpy of Vaporization: 88.94 kJ/mol; (21)Boiling Point: 503.2 °C at 760 mmHg; (22)Vapour Pressure: 3.1E-12 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 contacting with skin and if swallowed. Do not breathe dust. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES: F[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO
2.InChI: InChI=1/C6H11FO5/c7-5(3(10)1-8)6(12)4(11)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1
3.InChIKey: RMHCJIQOFXULDL-SLPGGIOYBO