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7286-45-5 | 6-O-ACETYL-D-GLUCOSE
CAS No: 7286-45-5 Catalog No: AG005E7T MDL No:
Product Description
Catalog Number:
AG005E7T
Chemical Name:
6-O-ACETYL-D-GLUCOSE
CAS Number:
7286-45-5
Molecular Formula:
C8H14O7
Molecular Weight:
222.1926
IUPAC Name:
[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] acetate
InChI:
InChI=1S/C8H14O7/c1-4(10)15-3-6(12)8(14)7(13)5(11)2-9/h2,5-8,11-14H,3H2,1H3/t5-,6+,7+,8+/m0/s1
InChI Key:
VFPUCPVAZOMVLI-LXGUWJNJSA-N
SMILES:
O=C[C@@H]([C@H]([C@@H]([C@@H](COC(=O)C)O)O)O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
222.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
222.193g/mol
Monoisotopic Mass:
222.074g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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