기본 정보
- 표준 SMILES
OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO- InChIKey
FBPFZTCFMRRESA-GUCUJZIJSA-N- 분자식
- C6H14O6
- 평균 분자량
- 182.17 g/mol
- 단동위원소 질량
- 182.07903817
개요
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.
이름 및 식별자
- 우선 이름
- Galactitol
- IUPAC
- (2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol
이름 및 동의어
galactitol608-66-2dulcitedulcoseEuonymitMelampyrinMelampyritMelampyriteMelampyrumD-Dulcitol(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexolmeso-galactitol
이름 더 보기
CHEBI:16813113ZQ1Y7DDNSC-1944RefChem:633477GlyTouCan:G25565DNG25565DN210-165-2dulcitol
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- -3.1
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 105
실험 및 물리화학적 성질
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]+
안전 및 규제
GHS 분류
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
유해성 정보
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%)
독성 정보
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).
화학 및 산업
약리 정보
Tissue LocationsBrain
Cellular LocationsExtracellular
Metabolite PathwaysGalactose Metabolism
용도 및 제조
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
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