Home Carbonyls 1-deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate

1-deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate

CAS No.:
13087-53-1
Catalog Number:
AG009B87
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009B87
Chemical Name:
1-deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate
CAS Number:
13087-53-1
MDL Number:
MFCD01717601
IUPAC Name:
3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
InChI:
InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,18)(H,16,17)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
InChI Key:
VLHUSFYMPUDOEL-WZTVWXICSA-N
EC Number:
235-998-9
UNII:
XUW72GOP7W
Properties
Complexity:
555  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
808.88g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
809.131g/mol
Monoisotopic Mass:
808.88g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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