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69936-58-9 | 4-Aminophenyl b-L-fucopyranoside
CAS No: 69936-58-9 Catalog No: AG005H1I MDL No:MFCD00077172
Product Description
Catalog Number:
AG005H1I
Chemical Name:
4-Aminophenyl b-L-fucopyranoside
CAS Number:
69936-58-9
Molecular Formula:
C12H17NO5
Molecular Weight:
255.2671
MDL Number:
MFCD00077172
IUPAC Name:
(2R,3S,4R,5S,6S)-2-(4-aminophenoxy)-6-methyloxane-3,4,5-triol
InChI:
InChI=1S/C12H17NO5/c1-6-9(14)10(15)11(16)12(17-6)18-8-4-2-7(13)3-5-8/h2-6,9-12,14-16H,13H2,1H3/t6-,9+,10+,11-,12+/m0/s1
InChI Key:
CITVZWPAGDTXQI-NFOQIUCISA-N
SMILES:
O[C@@H]1[C@H](O[C@H]([C@H]([C@H]1O)O)C)Oc1ccc(cc1)N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
255.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
255.27g/mol
Monoisotopic Mass:
255.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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