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13242-55-2 | β-D-Glucopyranose, 1,6-anhydro-, 2,3,4-triacetate
CAS No: 13242-55-2 Catalog No: AG0010OV MDL No:MFCD00219356
Product Description
Catalog Number:
AG0010OV
Chemical Name:
β-D-Glucopyranose, 1,6-anhydro-, 2,3,4-triacetate
CAS Number:
13242-55-2
Molecular Formula:
C12H16O8
Molecular Weight:
288.2506
MDL Number:
MFCD00219356
IUPAC Name:
[(1R,2R,3S,4R,5R)-3,4-diacetyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
InChI:
InChI=1S/C12H16O8/c1-5(13)17-9-8-4-16-12(20-8)11(19-7(3)15)10(9)18-6(2)14/h8-12H,4H2,1-3H3/t8-,9-,10+,11-,12-/m1/s1
InChI Key:
BAKQMOSGYGQJOJ-RMPHRYRLSA-N
SMILES:
CC(=O)O[C@H]1[C@H](OC(=O)C)[C@H]2CO[C@@H]([C@@H]1OC(=O)C)O2
EC Number:
236-222-1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
288.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.252g/mol
Monoisotopic Mass:
288.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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