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62182-11-0

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Basic Information
CAS No.: 62182-11-0
Name: 4-FLUORO-4-DEOXY-D-GLUCOSE
Article Data: 2
Molecular Structure:
Molecular Structure of 62182-11-0 (4-FLUORO-4-DEOXY-D-GLUCOSE)
Formula: C6H11FO5
Molecular Weight: 182.149
Synonyms: 4-FLUORO-4-DEOXY-D-GLUCOSE
Density: 1.59 g/cm3
Boiling Point: 370.1 °C at 760 mmHg
Flash Point: 170.1 °C
PSA: 90.15000
LogP: -2.24420
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Specification

The α-D-Glucopyranose,4-deoxy-4-fluoro-, with the CAS registry number 62182-11-0, is also known 4-Deoxy-4-fluoro-β-D-glucopyranose. This chemical's molecular formula is C6H11FO5 and molecular weight is 182.1469. What's more, its IUPAC name is (2R,3R,4R,5S,6R)-5-Fluoro-6-(hydroxymethyl)oxane-2,3,4-triol.

Physical properties about α-D-Glucopyranose,4-deoxy-4-fluoro- are: (1)ACD/LogP: -0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): -0.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.89; (8)ACD/KOC (pH 7.4): 10.89; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12) Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 35.66 cm3; (15)Molar Volume: 114.4 cm3; (16)Polarizability: 14.13 10-24cm3; (17)Surface Tension: 67.5 dyne/cm; (18)Density: 1.59 g/cm3; (19)Flash Point: 170.1 °C; (20)Enthalpy of Vaporization: 71.39 kJ/mol; (21)Boiling Point: 370.1 °C at 760 mmHg; (22)Vapour Pressure: 5.52E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: F[C@@H]1[C@H](O[C@@H](O)[C@H](O)[C@H]1O)CO
(2) InChI: InChI=1/C6H11FO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
(3) InChIKey: FIHYONSINSKFAH-VFUOTHLCBF