基本信息
- 标准SMILES
O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
DSLZVSRJTYRBFB-DUHBMQHGSA-N- 分子式
- C6H10O8
- 平均分子量
- 210.14 g/mol
- 单同位素质量
- 210.03756728
概述
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.
名称与标识
- 首选名称
- Galactaric acid
- IUPAC
- (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
- 中文名
- 黏酸
- 英文名
- Mucic acid
- 分子式
- C6H10O8
- 分子量
- 210.14
名称与别名
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
展开更多名称
四黏酸粘酸粘液黏液酸粘液酸糖乳酸半乳糖二酸四羥己二酸四羟己二酸meso-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
数据库标识
- CAS
526-99-8- PubChem CID
- 3037582
- DTXSID
DTXSID7048740- ChEMBL
CHEMBL1232958- ChEBI
CHEBI:30852- UNII
- E149J5OTIF
- EC Number
- 208-404-0
- Nikkaji
- J6.665F
性质
结构计算性质
- XLogP
- -2.5
- 极性表面积
- 156 Ų
- 氢键供体
- 6
- 氢键受体
- 8
- 可旋转键
- 5
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 202
实验与物化性质
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
物理化学性质
- 熔点
- 220 · 220-225 °C (dec.)(lit.)
- 沸点
- 269.65 °C · 269.65°C (rough estimate)
- 密度
- 1.5274 · 1.5274 (rough estimate)
- 折射率
- 1.58 · 1.5800 (estimate)
- 储存条件
- Store at RT.
- 溶解度
- 3.3 g/l · 3.3g/l soluble
- 酸度系数(pKa)
- 2.99 · 2.99±0.35(Predicted)
- 形态
- Solid
- 颜色
- White to Off-White
- 水溶解性
- Soluble in water.
- Merck
- 14 · 14,4331
- BRN
- 1728117 · 1728117
- 化妆品成分功效
- CHELATING
- InChI
- InChI=1/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
- InChIKey
- DSLZVSRJTYRBFB-DUHBMQHGNA-N
- SMILES
- [C@@H](O)([C@@H](O)C(=O)O)[C@@H](O)[C@H](O)C(=O)O |&1:0,2,7,9,r|
- CAS 数据库
- 526 · 526-99-8(CAS DataBase Reference)
- EPA化学物质信息
- Galactaric acid (526-99-8)
化学性质
半乳糖被硝酸氧化，生成半乳糖二酸，通常称为粘液酸。水中溶解度：3g/l (14 C)，不溶于酒精和乙醚。粘液酸的溶解度小，在水中析出结晶，因此常用D-半乳糖和硝酸反应来检查半乳糖或乳糖的存在。黏液酸是内消旋体，无旋光性。
安全与法规
GHS分类
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.
危害信息
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%)
安全数据
- wgk
- 2
- tsca
- TSCA listed
- RTECS号
- LW5180000
- 存储类别
- 11 - Combustible Solids
- 安全说明
- 22-24/25-36/37
- 海关编码
- 29181990
- 危险品标志
- Xi,Xn
- 危险类别码
- 22-40
- 毒害物质数据
- 526-99-8(Hazardous Substances Data)
化学与工业
药理信息
Cellular LocationsCytoplasm
用途与制造
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
PROPOSED POTASSIUM BITARTRATE SUBSTITUTE IN BAKING POWDER; PROPOSED FOR MANUFACTURE OF GRANULAR EFFERVESCING SALTS
应用领域
用途粘液酸用于替代自发面粉或泡腾片中的酒石酸。它还用作己二酸的前体，通过铼催化的脱氧脱水反应生成尼龙。它替代发酵粉中的酒石酸氢钾，也用于制造颗粒状泡腾盐。
上下游产品信息
下游产品
试剂价格
- XW0152699802 · 25g
- 粘液酸Mucic acid — 83元
- HY-W014410R · 25 mg
- 黏酸Mucic acid (Standard) — 350元
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