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3068-31-3 | α-D-Xylopyranosyl bromide, 2,3,4-triacetate
CAS No: 3068-31-3 Catalog No: AG0030T3 MDL No:MFCD00070174
Product Description
Catalog Number:
AG0030T3
Chemical Name:
α-D-Xylopyranosyl bromide, 2,3,4-triacetate
CAS Number:
3068-31-3
Molecular Formula:
C11H15BrO7
Molecular Weight:
339.1366
MDL Number:
MFCD00070174
IUPAC Name:
[(3R,4S,5R,6R)-4,5-diacetyloxy-6-bromooxan-3-yl] acetate
InChI:
InChI=1S/C11H15BrO7/c1-5(13)17-8-4-16-11(12)10(19-7(3)15)9(8)18-6(2)14/h8-11H,4H2,1-3H3/t8-,9+,10-,11+/m1/s1
InChI Key:
AVNRQUICFRHQDY-YTWAJWBKSA-N
SMILES:
CC(=O)O[C@@H]1CO[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Br
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
338g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.138g/mol
Monoisotopic Mass:
338g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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