점액산
Galactaric acid
기본 정보
- CAS
526-99-8- 표준 SMILES
O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
DSLZVSRJTYRBFB-DUHBMQHGSA-N- 분자식
- C6H10O8
- 평균 분자량
- 210.14 g/mol
- 단동위원소 질량
- 210.03756728
개요
Galactaric acid is a hexaric acid resulting from formal oxidative ring cleavage of galactose. It has a role as a human metabolite. It is a conjugate acid of a galactarate(1-) and a galactaric acid anion.
이름 및 식별자
- 우선 이름
- Galactaric acid
- IUPAC
- (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
- 현지명
- 점액산
- 영어명
- Mucic acid
- 분자식
- C6H10O8
- 분자량
- 210.14
이름 및 동의어
mucic acidgalactaric acid526-99-8Saccharolactic acidGalactosaccharic acid(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioic acidSchleimsaureDTXSID7048740MUCILIANCE(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acidTetrahydroxyadipic acidE149J5OTIF
이름 더 보기
점액산갈락타릭애씨드meso-galactaric acidD-Mucic acidL-Galactaric acidTETRAHYDROXYHEXANEDIOIC ACIDMucicMucus acid
NSC-81272R,3S,4R,5S-tetrahydroxy-hexanedioic acidDTXCID0028666CHEBI:308522,3,4,5-Tetrahydroxyhexanedioic acidstrontium galactarate mono-hydrateRefChem:633474GlyTouCan:G56286UC
데이터베이스 식별자
- CAS
526-99-8- PubChem CID
- 3037582
- DTXSID
DTXSID7048740- ChEMBL
CHEMBL1232958- ChEBI
CHEBI:30852- UNII
- E149J5OTIF
- EC Number
- 208-404-0
- Nikkaji
- J6.665F
물성
구조 계산 물성
- XLogP
- -2.5
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 202
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
Color/Form
CRYSTALLINE POWDER
PRISMS FROM WATER
Solubility
ACICULAR CRYSTALS; SOL IN WATER /AMMONIUM SALT/
SOL IN 300 PARTS COLD WATER, 60 PARTS BOILING WATER; SOL IN ALKALIES; PRACTICALLY INSOL IN ALCOHOL, ETHER
INSOL IN PYRIMIDINE
3.3 mg/mL at 14 °C
Melting Point220 - 225 °C
Physical Description
Solid; [Merck Index] Faintly beige powder; [MSDSonline]
Solid
Collision Cross Section
130.24 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
146.9 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
146.9 Ų [M+Na]+
Other Experimental PropertiesDECOMP AT ABOUT 255 °C WHEN RAPIDLY HEATED, ALSO REPORTED AS 225 °C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Galactaric acid
Galactaric acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryOral LD50 (mouse) = 8 gm/kg; [RTECS] May cause irritation; [MSDSonline]
EPA Safer ChemicalChemical: Galactaric acid
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- LW5180000
- HS 번호
- 29181990
- risk_code
- 22-40
- hazard_code
- Xi,Xn
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Uses
Used as a substitute for tartaric acid, a sequestrant for metal ions (calcium, iron), a retardant of concrete hardening, and a chemical intermediate; Not produced commercially in the US; [HSDB] Proposed as a replacement for potassium bitartrate in baking powder and to make granular effervescing salts; [Merck Index]
Cement Producing [Category: Industry]
SUBSTITUTE FOR TARTARIC ACID; SEQUESTERANT FOR METAL IONS (CALCIUM, IRON)
RETARDS HARDENING OF CONCRETE; INTERMEDIATE FOR SYNTHESIS OF HETEROCYCLIC COMPD (PYRROLES)
RESEARCH CHEMICAL
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
Methods of Manufacturing
PROBABLY BY DEGRADATION OF LACTOSE WITH NITRICACID
PREPD BY OXIDN OF LACTOSE & OF GALACTOSE: KENT, TOLLENS, ANN 227, 221 (1885); MAURER, DREFAHL, BER 75B, 1489 (1942). MFR FROM WOOD SAWDUST: ACREE, BRITISH PATENT 160,777 (1921). REVIEW: BA LEWIS ET AL...IN WHISTLER, WOLFROM, METHODS IN CARBOHYDRATE CHEMISTRY VOL II (ACADEMIC PRESS, NY, 1963) PP 38-46.
Use Classification
EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
General Manufacturing Information
Galactaric acid: ACTIVE
관련 반응
139건
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