CAS 119557-99-2 | 3,4,5-Piperidinetriol, 2,6-bis(hydroxymethyl)-, (2R,3R,5S,6R)- | CAS Number 119557-99-2

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119557-99-2 | 3,4,5-Piperidinetriol, 2,6-bis(hydroxymethyl)-, (2R,3R,5S,6R)-

CAS No: 119557-99-2 Catalog No: AG000IYC MDL No:MFCD28657274

Product Description

Catalog Number:

AG000IYC

Chemical Name:

3,4,5-Piperidinetriol, 2,6-bis(hydroxymethyl)-, (2R,3R,5S,6R)-

CAS Number:

119557-99-2

Molecular Formula:

C7H15NO5

Molecular Weight:

193.1977

MDL Number:

MFCD28657274

IUPAC Name:

(2R,3R,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol

InChI:

InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7?/m1/s1

InChI Key:

CLVUFWXGNIFGNC-QTSLKERKSA-N

SMILES:

OC[C@H]1N[C@H](CO)[C@H](C([C@H]1O)O)O

Properties

Complexity:

151

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.199g/mol

Monoisotopic Mass:

193.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.4

Literature

Title	Journal
Eight stereoisomers of homonojirimycin from D-mannose.	Organic letters 20120420
In vitro inhibition of glycogen-degrading enzymes and glycosidases by six-membered sugar mimics and their evaluation in cell cultures.	Bioorganic & medicinal chemistry 20080801
Synthesis and evaluation of glycosidase inhibitory activity of N-butyl 1-deoxy-D-gluco-homonojirimycin and N-butyl 1-deoxy-L-ido-homonojirimycin.	Bioorganic & medicinal chemistry 20060815
Homonojirimycin isomers and N-alkylated homonojirimycins: structural and conformational basis of inhibition of glycosidases.	Journal of medicinal chemistry 19980702