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128732-72-9 | 2-Piperidinethione, 3,4,5-trihydroxy-6-(hydroxymethyl)-, (3R,4S,5R,6R)-
CAS No: 128732-72-9 Catalog No: AG000YCI MDL No:
Product Description
Catalog Number:
AG000YCI
Chemical Name:
2-Piperidinethione, 3,4,5-trihydroxy-6-(hydroxymethyl)-, (3R,4S,5R,6R)-
CAS Number:
128732-72-9
Molecular Formula:
C6H11NO4S
Molecular Weight:
193.2208
IUPAC Name:
(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidine-2-thione
InChI:
InChI=1S/C6H11NO4S/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-5,8-11H,1H2,(H,7,12)/t2-,3-,4+,5-/m1/s1
InChI Key:
QTZRMTCOLWERQB-SQOUGZDYSA-N
SMILES:
OC[C@H]1NC(=S)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
193.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
193.217g/mol
Monoisotopic Mass:
193.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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