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116049-57-1

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Basic Information
CAS No.: 116049-57-1
Name: 2-Acetamido-2,4-dideoxy-4-fluoro-D-glucopyranose
Article Data: 6
Molecular Structure:
Molecular Structure of 116049-57-1 (2-Acetamido-2,4-dideoxy-4-fluoro-D-glucopyranose)
Formula: C14H20FNO8
Molecular Weight: 349.313
Synonyms: 2-Acetamido-4-fluoro-1,3,6-tri-O-acetyl-2,4-dideoxy-D-glucopyranose;[(3S,4R,5S,6S)-5-Acetamido-4,6-diacetoxy-3-fluoro-tetrahydropyran-2-yl]methyl acetate;
Density: 1.298 g/cm3
Boiling Point: 488.993 °C at 760 mmHg
Flash Point: 249.534 °C
PSA: 117.23000
LogP: 0.00290
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Specification

The CAS registry number of D-Glucopyranose,2-(acetylamino)-2,4-dideoxy-4-fluoro-, 1,3,6-triacetate is 116049-57-1. The systematic name is [(3S,4R,5S,6S)-5-acetamido-4,6-diacetoxy-3-fluoro-tetrahydropyran-2-yl]methyl acetate. In addition, the molecular formula is C14H20FNO8 and the molecular weight is 349.31. What's more, it belongs to the class of 13C & 2H Sugars. And it should be stored in a cool and dry place.

Physical properties about D-Glucopyranose,2-(acetylamino)-2,4-dideoxy-4-fluoro-, 1,3,6-triacetate are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 17.301; (4)ACD/KOC (pH 7.4): 17.301; (5)#H bond acceptors: 9; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 117.23 Å2; (9)Index of Refraction: 1.476; (10)Molar Refractivity: 75.912 cm3; (11)Molar Volume: 269.173 cm3; (12)Polarizability: 30.094 ×10-24cm3; (13)Surface Tension: 43.305 dyne/cm; (14)Density: 1.298 g/cm3; (15)Flash Point: 249.534 °C; (16)Enthalpy of Vaporization: 75.522 kJ/mol; (17)Boiling Point: 488.993 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)N[C@H]1[C@H]([C@@H](C(O[C@H]1OC(=O)C)COC(=O)C)F)OC(=O)C
(2)InChI: InChI=1/C14H20FNO8/c1-6(17)16-12-13(22-8(3)19)11(15)10(5-21-7(2)18)24-14(12)23-9(4)20/h10-14H,5H2,1-4H3,(H,16,17)/t10?,11-,12+,13+,14-/m1/s1
(3)InChIKey: AUCRVLBGFFSCPW-HOXDRQDXBD