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2351-14-6 | Glucitol, 2-amino-2-deoxy-
CAS No: 2351-14-6 Catalog No: AG002NH3 MDL No:
Product Description
Catalog Number:
AG002NH3
Chemical Name:
Glucitol, 2-amino-2-deoxy-
CAS Number:
2351-14-6
Molecular Formula:
C6H15NO5
Molecular Weight:
181.1870
IUPAC Name:
5-aminohexane-1,2,3,4,6-pentol
InChI:
InChI=1S/C6H15NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h3-6,8-12H,1-2,7H2
InChI Key:
FQORWEQXRQVPBZ-UHFFFAOYSA-N
SMILES:
OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)N
NSC Number:
269409
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
181.188g/mol
Monoisotopic Mass:
181.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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