Home Aminos D-Glucose, 2-amino-2-deoxy-, 3,4,6-tris(hydrogen sulfate), sodium salt (9CI)

D-Glucose, 2-amino-2-deoxy-, 3,4,6-tris(hydrogen sulfate), sodium salt (9CI)

CAS No.:
157297-03-5
Catalog Number:
AG001PCU
Molecular Formula:
C6H10NNa3O14S3
Molecular Weight:
485.3062
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Product Description
Catalog Number:
AG001PCU
Chemical Name:
D-Glucose, 2-amino-2-deoxy-, 3,4,6-tris(hydrogen sulfate), sodium salt (9CI)
CAS Number:
157297-03-5
Molecular Formula:
C6H10NNa3O14S3
Molecular Weight:
485.3062
MDL Number:
MFCD02094725
IUPAC Name:
trisodium;[(2R,3R,4R,5R)-2-amino-5-hydroxy-1-oxo-4,6-disulfonatooxyhexan-3-yl] sulfate
InChI:
InChI=1S/C6H13NO14S3.3Na/c7-3(1-8)5(20-23(13,14)15)6(21-24(16,17)18)4(9)2-19-22(10,11)12;;;/h1,3-6,9H,2,7H2,(H,10,11,12)(H,13,14,15)(H,16,17,18);;;/q;3*+1/p-3/t3-,4+,5+,6+;;;/m0.../s1
InChI Key:
HAHPZFGNTCRVDU-YZJMRIMCSA-K
SMILES:
O=C[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)[O-])O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])N.[Na+].[Na+].[Na+]
Properties
Complexity:
668  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
484.896g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
485.288g/mol
Monoisotopic Mass:
484.896g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
288A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties