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149033-48-7 | α-D-Glucopyranose, 2-(acetylamino)-2,3-dideoxy-3-fluoro-, 1,4,6-triacetate
CAS No: 149033-48-7 Catalog No: AG001LCI MDL No:
Product Description
Catalog Number:
AG001LCI
Chemical Name:
α-D-Glucopyranose, 2-(acetylamino)-2,3-dideoxy-3-fluoro-, 1,4,6-triacetate
CAS Number:
149033-48-7
Molecular Formula:
C14H20FNO8
Molecular Weight:
349.3089
IUPAC Name:
[(2R,3R,4R,5S)-5-acetamido-3,6-diacetyloxy-4-fluorooxan-2-yl]methyl acetate
InChI:
InChI=1S/C14H20FNO8/c1-6(17)16-12-11(15)13(22-8(3)19)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
InChI Key:
GTHNZJFTKPLRLZ-GNMOMJPPSA-N
SMILES:
CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)F)NC(=O)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
349.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.311g/mol
Monoisotopic Mass:
349.117g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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