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144069-91-0 | D-Ribitol, 5-(4-aminophenyl)-5-deoxy- (9CI)
CAS No: 144069-91-0 Catalog No: AG001IV4 MDL No:
Product Description
Catalog Number:
AG001IV4
Chemical Name:
D-Ribitol, 5-(4-aminophenyl)-5-deoxy- (9CI)
CAS Number:
144069-91-0
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
IUPAC Name:
(2S,3R,4R)-5-(4-aminophenyl)pentane-1,2,3,4-tetrol
InChI:
InChI=1S/C11H17NO4/c12-8-3-1-7(2-4-8)5-9(14)11(16)10(15)6-13/h1-4,9-11,13-16H,5-6,12H2/t9-,10+,11-/m1/s1
InChI Key:
MRNNKNGLQUJDHI-OUAUKWLOSA-N
SMILES:
OC[C@@H]([C@@H]([C@@H](Cc1ccc(cc1)N)O)O)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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