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852213-76-4 | 3,4-Piperidinediol, 6-hexyl-5-(hydroxymethyl)-, (3R,4R,5R,6S)-
CAS No: 852213-76-4 Catalog No: AG004M5I MDL No:
Product Description
Catalog Number:
AG004M5I
Chemical Name:
3,4-Piperidinediol, 6-hexyl-5-(hydroxymethyl)-, (3R,4R,5R,6S)-
CAS Number:
852213-76-4
Molecular Formula:
C12H25NO3
Molecular Weight:
231.3318
IUPAC Name:
(3R,4R,5R,6S)-6-hexyl-5-(hydroxymethyl)piperidine-3,4-diol
InChI:
InChI=1S/C12H25NO3/c1-2-3-4-5-6-10-9(8-14)12(16)11(15)7-13-10/h9-16H,2-8H2,1H3/t9-,10-,11+,12+/m0/s1
InChI Key:
WWWVFLGYRMNEFO-NNYUYHANSA-N
SMILES:
CCCCCC[C@@H]1NC[C@H]([C@@H]([C@H]1CO)O)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
231.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
231.336g/mol
Monoisotopic Mass:
231.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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