1-Deoxynojirimycin

C₆H₁₃NO₄CAS 19130-96-2163.17 g/mol

Properties

Molecular formula: C₆H₁₃NO₄
Molar mass: 163.17 g/mol
Exact mass: 163.0845 Da
Melting point: 204–205 °C
logP: -2.97Crippen estimate
Polar surface area: 93.0 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 1
Stereocentres: R, S, R, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 25 ECHA notifiers. Aggregated from 25 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

19130-96-2

SMILES

OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

LXBIFEVIBLOUGU-JGWLITMVSA-N

InChI

InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all

3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R,3R,4R,5S)-
Glucopyranose, 5-amino-1,5-dideoxy-, D-
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, [2R-(2α,3β,4α,5β)]-
(2R,3R,4R,5S)-2-(Hydroxymethyl)-3,4,5-piperidinetriol
Nojirimycin, 1-deoxy-
D-Glucitol, 1,5-dideoxy-1,5-imino-
Moranoline
5-Amino-1,5-dideoxy-D-glucopyranose
Moranolin
Deoxynojirimycin
BAY-h 5595
1,5-Dideoxy-1,5-imino-D-glucitol
D-1-Deoxynojirimycin
Duvoglustat

Work with 1-Deoxynojirimycin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sorbitol50-70-450 % similar Galactitol608-66-250 % similar Meglumine6284-40-850 % similar Mannitol69-65-850 % similar DL-Mannitol87-78-550 % similar N-Ethylglucamine14216-22-947 % similar Ribitol488-81-344 % similar D-Arabitol488-82-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2-(2-Aminoethoxy)ethoxy)acetic acid134978-97-5 Bicine150-25-4 Ammonium adipate19090-60-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia