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129728-87-6 | α-D-Glucopyranose, 2-(acetylamino)-2,4-dideoxy-4-fluoro-
CAS No: 129728-87-6 Catalog No: AG000TM1 MDL No:
Product Description
Catalog Number:
AG000TM1
Chemical Name:
α-D-Glucopyranose, 2-(acetylamino)-2,4-dideoxy-4-fluoro-
CAS Number:
129728-87-6
Molecular Formula:
C8H14FNO5
Molecular Weight:
223.1989
IUPAC Name:
N-[(2S,3R,4R,5S,6R)-5-fluoro-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI:
InChI=1S/C8H14FNO5/c1-3(12)10-6-7(13)5(9)4(2-11)15-8(6)14/h4-8,11,13-14H,2H2,1H3,(H,10,12)/t4-,5-,6-,7+,8+/m1/s1
InChI Key:
QAPRNMNSFDDVPY-YQXRAVKXSA-N
SMILES:
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1F)O)NC(=O)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
223.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
223.2g/mol
Monoisotopic Mass:
223.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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