Home Halogens Acetochloro-α-D-mannose

Acetochloro-α-D-mannose

CAS No.:
14257-40-0
Catalog Number:
AG007ZD4
Molecular Formula:
C14H19ClO9
Molecular Weight:
366.7483
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Product Description
Catalog Number:
AG007ZD4
Chemical Name:
Acetochloro-α-D-mannose
CAS Number:
14257-40-0
Molecular Formula:
C14H19ClO9
Molecular Weight:
366.7483
MDL Number:
MFCD00067355
IUPAC Name:
[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-chlorooxan-2-yl]methyl acetate
InChI:
InChI=1S/C14H19ClO9/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:
BYWPSIUIJNAJDV-DGTMBMJNSA-N
SMILES:
CC(=O)OC[C@H]1O[C@H](Cl)[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:
366.072g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.747g/mol
Monoisotopic Mass:
366.072g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties