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178563-31-0 | β-D-Glucopyranosylamine, N,N-dimethyl-, hydrochloride (9CI)
CAS No: 178563-31-0 Catalog No: AG00265F MDL No:
Product Description
Catalog Number:
AG00265F
Chemical Name:
β-D-Glucopyranosylamine, N,N-dimethyl-, hydrochloride (9CI)
CAS Number:
178563-31-0
Molecular Formula:
C8H18ClNO5
Molecular Weight:
243.6852
IUPAC Name:
(2R,3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)oxane-3,4,5-triol;hydrochloride
InChI:
InChI=1S/C8H17NO5.ClH/c1-9(2)8-7(13)6(12)5(11)4(3-10)14-8;/h4-8,10-13H,3H2,1-2H3;1H/t4-,5-,6+,7-,8-;/m1./s1
InChI Key:
IWRWFXMXHCAXKR-ALZNSTKSSA-N
SMILES:
OC[C@H]1O[C@@H](N(C)C)[C@@H]([C@H]([C@@H]1O)O)O.Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
243.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
243.684g/mol
Monoisotopic Mass:
243.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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