Galactitol

HCID 11850CAS 2234851-14-8

基本情報

標準SMILES: OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
InChIKey: FBPFZTCFMRRESA-GUCUJZIJSA-N
分子式: C6H14O6
平均分子量: 182.17 g/mol
単同位体質量: 182.07903817

概要

Galactitol is an optically inactive hexitol having meso-configuration. It has a role as a metabolite, a mouse metabolite, an Escherichia coli metabolite and a human metabolite.

名称と識別子

優先名称: Galactitol
IUPAC: (2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol

名称と別名

galactitol608-66-2dulcitedulcoseEuonymitMelampyrinMelampyritMelampyriteMelampyrumD-Dulcitol(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexolmeso-galactitol

名称をさらに表示

CHEBI:16813113ZQ1Y7DDNSC-1944RefChem:633477GlyTouCan:G25565DNG25565DN210-165-2dulcitol

データベース識別子

CAS: 2234851-14-8、608-66-2
PubChem CID: 11850
DTXSID: DTXSID1046051
ChEMBL: CHEMBL1773904
ChEBI: CHEBI:16813
UNII: 113ZQ1Y7DD
EC Number: 171-669-5、210-165-2
Nikkaji: J7.011D

物性

構造計算による物性

XLogP: -3.1
極性表面積: 121 Å²
水素結合供与体数: 6
水素結合受容体数: 6
回転可能結合数: 5
重原子数: 12
形式電荷: 0
複雑度: 105

実験および物理化学的性質

Chemical ClassesBiological Agents -> Monosaccharides and Derivatives

SpringerMaterials PropertiesCrystal structure

LogP-3.10

Solubility31,0 mg/mL at 15 °C

Melting Point189.5 °C

Physical Description · 2 件

Solid; [Merck Index] White to off-white hygroscopic powder; [Alfa Aesar MSDS]

Solid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 2 件

Chemical: Galactitol

Galactitol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Galactitol: Human health tier I assessment

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (33.3%)

Skin Irrit. 2 (100%)

毒性情報

Health EffectsChronically high levels of galactitol are associated with at least 2 inborn errors of metabolism including: Galactosemia and Galactosemia type II.

Toxicity Summary · 1 件

Accumulation of galactitol in the body has been shown to be toxic. Accumulation of galactitol in the lens causes the osmotic phenomena and results in cataract formation. It may form in excess in the lens of the eye in galactosemias, a deficiency of galactokinase.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

化学と産業

薬理情報

Tissue LocationsBrain

Cellular LocationsExtracellular

Metabolite PathwaysGalactose Metabolism

用途と製造

Uses · 2 件

A naturally occurring product of plants obtained following reduction of GALACTOSE. It appears as a white crystalline powder with a slight sweet taste. [ChemIDplus]

This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.

General Manufacturing InformationGalactitol: ACTIVE