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14086-91-0 | D-Glucopyranose, 2-(benzoylamino)-2-deoxy-
CAS No: 14086-91-0 Catalog No: AG001CXN MDL No:
Product Description
Catalog Number:
AG001CXN
Chemical Name:
D-Glucopyranose, 2-(benzoylamino)-2-deoxy-
CAS Number:
14086-91-0
Molecular Formula:
C13H17NO6
Molecular Weight:
283.2772
IUPAC Name:
N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
InChI:
InChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)
InChI Key:
VSGKVJPCJOJUBP-UHFFFAOYSA-N
SMILES:
OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
283.28g/mol
Monoisotopic Mass:
283.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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