DL-グリセリン酸 (40%水溶液, 約5.2mol/L)
Glyceric acid
基本情報
- CAS
473-81-4- 標準SMILES
O=C(O)C(O)CO- InChIKey
RBNPOMFGQQGHHO-UHFFFAOYSA-N- 分子式
- C3H6O4
- 平均分子量
- 106.08 g/mol
- 単同位体質量
- 106.02660867
概要
Glyceric acid is a trionic acid that consists of propionic acid substituted at positions 2 and 3 by hydroxy groups. It has a role as a fundamental metabolite. It is functionally related to a propionic acid. It is a conjugate acid of a glycerate.
名称と識別子
- 優先名称
- Glyceric acid
- IUPAC
- 2,3-dihydroxypropanoic acid
- 現地名
- DL-グリセリン酸 (40%水溶液, 約5.2mol/L)
- 英語名
- DL-Glyceric acid
- 分子式
- C3H6O4
- 分子量
- 106.08
名称と別名
GLYCERIC ACID473-81-42,3-Dihydroxypropanoic acidPropanoic acid, 2,3-dihydroxy-70KH64UX7Galpha,beta-Hydroxypropionic acidDTXSID80861979CHEBI:33508RefChem:663205GlyTouCan:G83093ZMDTXCID50219004G83093ZM
名称をさらに表示
DL-グリセリン酸 (40%水溶液, 約5.2mol/L)(±)-グリセリン酸(±)-2,3-ジヒドロキシプロパン酸DL-2,3-ジヒドロキシプロパン酸DL-グリセリン酸rac-(R*)-2,3-ジヒドロキシプロパン酸DL-グリセリン酸(40%水溶液)DL-Glyceric Acid (40% in Water, ca. 5.2mol/L)RARECHEM AL BE 0724DL-Glyceric acid ,97%DL-GLYCERICACID20%INWATERα,β-dihydroxypropionic acidDL-GLYCERIC ACID: 40% IN WATER2,3-Dihydroxypropanoic acid(20% in water)
207-472-9DL-Glyceric acid600-19-1DL-2,3-Dihydroxypropionic Acid(+-)-Glyceric acidbeta-Hydroxylactic acidC3H6O4UNII-70KH64UX7G
データベース識別子
- CAS
473-81-4、600-19-1- PubChem CID
- 752
- DTXSID
DTXSID80861979- ChEBI
CHEBI:33508- UNII
- 70KH64UX7G
- EC Number
- 207-472-9、676-425-6
- Nikkaji
- J5.966H
物性
構造計算による物性
- XLogP
- -1.5
- 極性表面積
- 77.8 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 69.3
実験および物理化学的性質
Collision Cross Section112.8 Ų [M-H]-
物理化学的性質
- 貯蔵温度
- Refrigerator
- 溶解性
- DMSO（微量）、水（微量）
- 酸解離定数(Pka)
- 1 · pK1:3.64 (25°C)
- 外見
- 無色透明の液体
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
Warning
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Propanoic acid, 2,3-dihydroxy-
Propanoic acid, 2,3-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
EPA Safer ChemicalChemical: Propanoic acid, 2,3-dihydroxy-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
毒性情報
Health EffectsChronically high levels of D-glyceric acid are associated with D-glyceric acidura.
Toxicity Summary
Glyceric acid is a compound that is secreted excessively in the urine by patients suffering from D-glyceric aciduria and D-glycerate anemia. Deficiency of human glycerate kinase leads to D-glycerate acidemia/D-glyceric aciduria. Accumulation of glyceric acid in the body has been shown to be toxic.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
化学と産業
用途と製造
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
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
上流・下流製品情報
上流原料
下流製品
関連反応
19 件
化合物ノート
読み込み中…