正在补全数据，通常 1 分钟内完成
基本信息
- 标准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
- 单同位素质量
- 182.07903817
概述
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.
名称与标识
- 首选名称
- Galactitol
- IUPAC
- (2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol
- 英文名
- D-Galactitol
- 分子式
- C6H14O6
- 分子量
- 182.17
名称与别名
galactitol608-66-2dulcitedulcoseEuonymitMelampyrinMelampyritMelampyriteMelampyrumD-Dulcitol(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexolmeso-galactitol
展开更多名称
CHEBI:16813113ZQ1Y7DDNSC-1944RefChem:633477GlyTouCan:G25565DNG25565DN210-165-2dulcitol
数据库标识
- 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
性质
结构计算性质补全中
- XLogP
- -3.1
- 极性表面积
- 121 Ų
- 氢键供体
- 6
- 氢键受体
- 6
- 可旋转键
- 5
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 105
实验与物化性质
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]
142.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
143.4 Ų [M+Na]+
安全与法规
GHS分类
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
危害信息
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%)
毒理信息
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.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
化学与工业
药理信息
Tissue LocationsBrain
Cellular LocationsExtracellular
Metabolite PathwaysGalactose Metabolism
用途与制造
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
相关反应
14 条
关联笔记
加载中…