Home Aminos β-D-Mannopyranoside, 4-aminophenyl, hydrochloride (9CI)

β-D-Mannopyranoside, 4-aminophenyl, hydrochloride (9CI)

CAS No.:
210049-18-6
Catalog Number:
AG002KJJ
Molecular Formula:
C12H18ClNO6
Molecular Weight:
307.7274
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Product Description
Catalog Number:
AG002KJJ
Chemical Name:
β-D-Mannopyranoside, 4-aminophenyl, hydrochloride (9CI)
CAS Number:
210049-18-6
Molecular Formula:
C12H18ClNO6
Molecular Weight:
307.7274
MDL Number:
MFCD00190750
IUPAC Name:
(2S,4S,5S)-2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol;hydrochloride
InChI:
InChI=1S/C12H17NO6.ClH/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12;/h1-4,8-12,14-17H,5,13H2;1H/t8?,9-,10+,11?,12-;/m1./s1
InChI Key:
FNHHYVPLSLTGMP-MJSMDPLYSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2)N)[C@H]([C@H]([C@@H]1O)O)O.Cl
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
307.082g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
307.727g/mol
Monoisotopic Mass:
307.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties