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158341-94-7 | 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R,3R,4S,5S)-
CAS No: 158341-94-7 Catalog No: AG001Q4Q MDL No:
Product Description
Catalog Number:
AG001Q4Q
Chemical Name:
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R,3R,4S,5S)-
CAS Number:
158341-94-7
Molecular Formula:
C6H13NO4
Molecular Weight:
163.1717
IUPAC Name:
(2R,3R,4S,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
InChI:
InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6+/m1/s1
InChI Key:
LXBIFEVIBLOUGU-MOJAZDJTSA-N
SMILES:
OC[C@H]1NC[C@@H]([C@@H]([C@@H]1O)O)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
163.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
163.173g/mol
Monoisotopic Mass:
163.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
Literature
| Title | Journal |
|---|---|
| Biological properties of D- and L-1-deoxyazasugars. | Journal of medicinal chemistry 20050324 |
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