基本情報
- 標準SMILES
O=C1CC[C@@H](C(=O)O)O1- InChIKey
QVADRSWDTZDDGR-VKHMYHEASA-N- 分子式
- C5H6O4
- 平均分子量
- 130.1 g/mol
概要
(S)-alpha-hydroxyglutaric acid-gamma-lactone is a butan-4-olide obtained by formal intramolecular condensation between the 2-hydroxy and 4-carboxy groups of (S)-2-hydroxyglutaric acid. It is a butan-4-olide and a monocarboxylic acid. It is functionally related to a (S)-2-hydroxyglutaric acid. It is a conjugate acid of a (S)-alpha-hydroxyglutarate-gamma-lactone.
名称と識別子
- 優先名称
- (2S)-5-oxooxolane-2-carboxylic acid
- IUPAC
- (2S)-5-oxooxolane-2-carboxylic acid
名称と別名
(2S)-5-oxooxolane-2-carboxylic acid2-Furancarboxylic acid, tetrahydro-5-oxo-, (2S)-RefChem:398663626-322-721461-84-7(S)-5-oxotetrahydrofuran-2-carboxylic acid(S)-(+)-5-Oxo-2-tetrahydrofurancarboxylic acid(S)-5-oxo-tetrahydrofuran-2-carboxylic acid(s)-5-oxo-2-tetrahydrofurancarboxylic acid(S)-(+)-5-Oxotetrahydrofuran-2-carboxylic AcidMFCD00064516(2S)-5-oxotetrahydrofuran-2-carboxylic acid
名称をさらに表示
SCHEMBL12219(S)-(+)-5-Oxo-2-tetrahydrofuroic Acid(S)-alpha-hydroxyglutaric acid-gamma-lactoneAKOS015856023(S)-(+)-gamma-Carboxy-gamma-butyrolactone(S)-tetrahydro-5-oxo-2-furancarboxylic acidO0276(S)-(+)-5-Oxo-2-tetrahydrofurancarboxylicacid
データベース識別子
- CAS
21461-84-7- PubChem CID
- 636468
- ChEBI
CHEBI:73677- EC Number
- 626-322-7
- Nikkaji
- J27.220E
物性
構造計算による物性
- XLogP
- -0.2
- 極性表面積
- 63.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 151
安全と法規制
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)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information2-Furancarboxylic acid, tetrahydro-5-oxo-, (2S)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
関連反応
25 件
関連ノート
読み込み中…