Galactitol
基本情報
- CAS
2234851-14-8- 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
- 182.07903816
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
galactitol608-66-2dulcitedulcoseEuonymitMelampyrinMelampyritMelampyriteMelampyrum(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexolmeso-galactitolD-Dulcitol
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 Ų
- 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
Solid; [Merck Index] White to off-white hygroscopic powder; [Alfa Aesar MSDS]
Solid
Collision Cross Section
128.77 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
145.91 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
130.5 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
143.4 Ų [M+Na]+
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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
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
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.
化学と産業
薬理情報
Tissue LocationsBrain
Cellular LocationsExtracellular
Metabolite PathwaysGalactose Metabolism
用途と製造
Uses
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
関連反応
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化合物ノート
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