Miglitol

C₈H₁₇NO₅CAS 72432-03-2207.23 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₈H₁₇NO₅
Molar mass: 207.23 g/mol
Exact mass: 207.1107 Da
Melting point: 114 °C
pKa: 5.9
Water solubility: soluble
logP: -3.26Crippen estimate
Polar surface area: 104.4 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 3
Stereocentres: S, R, R, Rin SMILES atom order

Hazards

Warning

H314 Causes severe skin burns and eye damage100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P321, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

72432-03-2

SMILES

OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

InChIKey

IBAQFPQHRJAVAV-ULAWRXDQSA-N

InChI

InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1

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Names and synonyms

14 names · show all

3,4,5-Piperidinetriol, 1-(2-hydroxyethyl)-2-(hydroxymethyl)-, (2R,3R,4R,5S)-
3,4,5-Piperidinetriol, 1-(2-hydroxyethyl)-2-(hydroxymethyl)-, [2R-(2α,3β,4α,5β)]-
(2R,3R,4R,5S)-1-(2-Hydroxyethyl)-2-(hydroxymethyl)-3,4,5-piperidinetriol
BAY-m 1099
N-(2-Hydroxyethyl)moranoline
BAY 1099
N-(2-Hydroxyethyl)-1-deoxynojirimycin
Glyset
Diastabol
Seibule
(2R,3R,4R,5S)-1-(2-Hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Plumarol
N-(2-Hydroethyl)deoxynojirimycin
Miglitose

Work with Miglitol

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

Miglustat72599-27-068 % similar Castanospermine79831-76-844 % similar Sorbitol50-70-443 % similar Galactitol608-66-243 % similar Mannitol69-65-843 % similar DL-Mannitol87-78-543 % similar Ribitol488-81-338 % similar D-Arabitol488-82-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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