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14200-76-1 | D-Glucose, 6-benzoate
CAS No: 14200-76-1 Catalog No: AG001HK4 MDL No:
Product Description
Catalog Number:
AG001HK4
Chemical Name:
D-Glucose, 6-benzoate
CAS Number:
14200-76-1
Molecular Formula:
C13H16O7
Molecular Weight:
284.2619
IUPAC Name:
[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] benzoate
InChI:
InChI=1S/C13H16O7/c14-6-9(15)11(17)12(18)10(16)7-20-13(19)8-4-2-1-3-5-8/h1-6,9-12,15-18H,7H2/t9-,10+,11+,12+/m0/s1
InChI Key:
VKUVHQLMDOUYND-IRCOFANPSA-N
SMILES:
O=C[C@@H]([C@H]([C@@H]([C@@H](COC(=O)c1ccccc1)O)O)O)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
284.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
284.264g/mol
Monoisotopic Mass:
284.09g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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