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CAS No.: | 38711-37-4 |
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Name: | b-D-Glucopyranose, 2-deoxy-2-fluoro- |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C6H11FO5 |
Molecular Weight: | 182.149 |
Synonyms: | NSC240588; |
Density: | 1.59 g/cm3 |
Boiling Point: | 413.6 °C at 760 mmHg |
Flash Point: | 186.3 °C |
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The 2-Deoxy-2-fluorohexopyranose is an organic compound with the formula C6H11FO5. The IUPAC name of this chemical is 3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol. With the CAS registry number 38711-37-4, it is also named as 2-deoxy-2-fluoro-D-glucopyranose.
Physical properties about 2-Deoxy-2-fluorohexopyranose are: (1)ACD/LogP: -1.34; (2)#H bond acceptors: 5; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 46.15 Å2; (6)Index of Refraction: 1.535; (7)Molar Refractivity: 35.66 cm3; (8)Molar Volume: 114.4 cm3; (9)Polarizability: 14.13×10-24cm3; (10)Surface Tension: 67.5 dyne/cm; (11)Density: 1.59 g/cm3; (12)Flash Point: 186.3 °C; (13)Enthalpy of Vaporization: 76.99 kJ/mol; (14)Boiling Point: 413.6 °C at 760 mmHg; (15)Vapour Pressure: 1.44E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC1C(O)C(O)C(OC1O)CO
(2)InChI: InChI=1/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2
(3)InChIKey: ZCXUVYAZINUVJD-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2
(5)Std. InChIKey: ZCXUVYAZINUVJD-UHFFFAOYSA-N