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159762-16-0

159762-16-0 | 1,3,4-Octadecanetriol, 2-(dimethylamino)-, (2S,3S,4R)-

CAS No: 159762-16-0 Catalog No: AG001RDF MDL No:

Product Description

Catalog Number:
AG001RDF
Chemical Name:
1,3,4-Octadecanetriol, 2-(dimethylamino)-, (2S,3S,4R)-
CAS Number:
159762-16-0
Molecular Formula:
C20H43NO3
Molecular Weight:
345.5603
IUPAC Name:
(2S,3S,4R)-2-(dimethylamino)octadecane-1,3,4-triol
InChI:
InChI=1S/C20H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(23)20(24)18(17-22)21(2)3/h18-20,22-24H,4-17H2,1-3H3/t18-,19+,20-/m0/s1
InChI Key:
OCIMVTKSHQIFRC-ZCNNSNEGSA-N
SMILES:
CCCCCCCCCCCCCC[C@H]([C@H]([C@@H](N(C)C)CO)O)O

Properties

Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
345.324g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
345.568g/mol
Monoisotopic Mass:
345.324g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  

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