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113889-50-2 | D-Arabinopyranosyl bromide, triacetate (9CI)
CAS No: 113889-50-2 Catalog No: AG000A0I MDL No:
Product Description
Catalog Number:
AG000A0I
Chemical Name:
D-Arabinopyranosyl bromide, triacetate (9CI)
CAS Number:
113889-50-2
Molecular Formula:
C11H21BrO10
Molecular Weight:
393.1824
IUPAC Name:
[(3R,4R,5S,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-ZNSHCXBVSA-N
SMILES:
O[C@@H]1COC([C@H]([C@@H]1O)O)Br.CC(=O)O.CC(=O)O.CC(=O)O
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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