Home Aminos β-D-Glucopyranosiduronic acid, 4-aminophenyl

β-D-Glucopyranosiduronic acid, 4-aminophenyl

CAS No.:
21080-66-0
Catalog Number:
AG002KZP
Molecular Formula:
C12H15NO7
Molecular Weight:
285.2500
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Product Description
Catalog Number:
AG002KZP
Chemical Name:
β-D-Glucopyranosiduronic acid, 4-aminophenyl
CAS Number:
21080-66-0
Molecular Formula:
C12H15NO7
Molecular Weight:
285.2500
MDL Number:
MFCD07357250
IUPAC Name:
(2S,3S,4S,5R,6S)-6-(4-aminophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C12H15NO7/c13-5-1-3-6(4-2-5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12,14-16H,13H2,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
InChI Key:
ZARKEMJKQOXOSQ-GOVZDWNOSA-N
SMILES:
OC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)N)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
285.085g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
285.252g/mol
Monoisotopic Mass:
285.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties