Home Other Building Blocks 3,4,5-Piperidinetriol, 1-ethyl-2-(hydroxymethyl)-, hydrochloride (1:1), (2R,3R,4R,5S)-

3,4,5-Piperidinetriol, 1-ethyl-2-(hydroxymethyl)-, hydrochloride (1:1), (2R,3R,4R,5S)-

CAS No.:
210241-65-9
Catalog Number:
AG002KNX
Molecular Formula:
C8H18ClNO4
Molecular Weight:
227.6858
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Product Description
Catalog Number:
AG002KNX
Chemical Name:
3,4,5-Piperidinetriol, 1-ethyl-2-(hydroxymethyl)-, hydrochloride (1:1), (2R,3R,4R,5S)-
CAS Number:
210241-65-9
Molecular Formula:
C8H18ClNO4
Molecular Weight:
227.6858
MDL Number:
MFCD00269991
IUPAC Name:
(3R,4R)-1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
InChI:
InChI=1S/C8H17NO4.ClH/c1-2-9-3-6(11)8(13)7(12)5(9)4-10;/h5-8,10-13H,2-4H2,1H3;1H/t5?,6?,7-,8-;/m1./s1
InChI Key:
YVZSBJPQUMOYLM-YSPZXBHMSA-N
SMILES:
CCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O.Cl
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
227.092g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
227.685g/mol
Monoisotopic Mass:
227.092g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties