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2-Deoxy-2-fluorohexopyranose

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Name

2-Deoxy-2-fluorohexopyranose

EINECS N/A
CAS No. 38711-37-4 Density 1.59 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C6H11FO5 Boiling Point 413.6 °C at 760 mmHg
Molecular Weight 182.149 Flash Point 186.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 38711-37-4 (b-D-Glucopyranose, 2-deoxy-2-fluoro-) Hazard Symbols N/A
Synonyms

NSC240588;

Article Data 23

2-Deoxy-2-fluorohexopyranose Specification

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

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