CAS 133342-48-0 | 3,4,5-Piperidinetriol, 1-(3-cyclohexylpropyl)-2-(hydroxymethyl)-, (2R,3R,4R,5S)- | CAS Number 133342-48-0

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133342-48-0 | 3,4,5-Piperidinetriol, 1-(3-cyclohexylpropyl)-2-(hydroxymethyl)-, (2R,3R,4R,5S)-

CAS No: 133342-48-0 Catalog No: AG0014PV MDL No:

Product Description

Catalog Number:

AG0014PV

Chemical Name:

3,4,5-Piperidinetriol, 1-(3-cyclohexylpropyl)-2-(hydroxymethyl)-, (2R,3R,4R,5S)-

CAS Number:

133342-48-0

Molecular Formula:

C15H29NO4

Molecular Weight:

287.3951

IUPAC Name:

(2R,3R,4R,5S)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

InChI:

InChI=1S/C15H29NO4/c17-10-12-14(19)15(20)13(18)9-16(12)8-4-7-11-5-2-1-3-6-11/h11-15,17-20H,1-10H2/t12-,13+,14-,15-/m1/s1

InChI Key:

WAOKCSPMSBLULX-LXTVHRRPSA-N

SMILES:

OC[C@H]1N(CCCC2CCCCC2)C[C@@H]([C@H]([C@@H]1O)O)O

Properties

Complexity:

283

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

287.21g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

287.4g/mol

Monoisotopic Mass:

287.21g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Imino sugars that are less toxic but more potent as antivirals, in vitro, compared with N-n-nonyl DNJ.	Antiviral chemistry & chemotherapy 20020901
Inhibitory effect of novel 1-deoxynojirimycin derivatives on HIV-1 replication.	AIDS (London, England) 19901001