N-Pentyl-1-deoxynojirimycin

HCID 129374

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 121133-60-6
Standard SMILES: CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChIKey: HCZQIIVHWYFIPW-LMLFDSFASA-N
Molecular formula: C11H23NO4
Average molar mass: 233.3 g/mol
Monoisotopic mass: 233.16270821

Overview

structure given in first source

Names & identifiers

Preferred name: N-Pentyl-1-deoxynojirimycin
IUPAC: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-pentylpiperidine-3,4,5-triol

Names & synonyms

N-Pentyl-1-deoxynojirimycin121133-60-6N-pentyl-1-deoxy-nojirimycinRefChem:164096PentyldnmCHEMBL16515495M3UVZ2DXU(2R,3R,4R,5S)-2-(hydroxymethyl)-1-pentylpiperidine-3,4,5-triolUNII-5M3UVZ2DXUDTXSID50923694BDBM50335399(2R-(2alpha,3beta,4alpha,5beta))-2-(Hydroxymethyl)-1-pentyl-3,4,5-piperidinetriol

Show more names

2-(hydroxymethyl)-1-pentylpiperidine-3,4,5-triol3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-pentyl-, (2R-(2alpha,3beta,4alpha,5beta))-

Database identifiers

CAS: 121133-60-6
PubChem CID: 129374
DTXSID: DTXSID50923694
ChEMBL: CHEMBL1651549
Nikkaji: J2.728.302K

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 84.2 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 202

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…