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13242-53-0 | α-D-Mannopyranosyl bromide, 2,3,4,6-tetraacetate
CAS No: 13242-53-0 Catalog No: AG0010OW MDL No:MFCD00190698
Product Description
Catalog Number:
AG0010OW
Chemical Name:
α-D-Mannopyranosyl bromide, 2,3,4,6-tetraacetate
CAS Number:
13242-53-0
Molecular Formula:
C14H19BrO9
Molecular Weight:
411.1993
MDL Number:
MFCD00190698
IUPAC Name:
[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate
InChI:
InChI=1S/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13+,14+/m1/s1
InChI Key:
CYAYKKUWALRRPA-DGTMBMJNSA-N
SMILES:
CC(=O)OC[C@H]1O[C@H](Br)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
410.021g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.201g/mol
Monoisotopic Mass:
410.021g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| An efficient approach towards the convergent synthesis of 'fully-carbohydrate' mannodendrimers. | Chemistry (Weinheim an der Bergstrasse, Germany) 20021004 |
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