基本情報
- 標準SMILES
C[C@@H](O)[C@@H](N)C(=O)O- InChIKey
AYFVYJQAPQTCCC-PWNYCUMCSA-N- 分子式
- C4H9NO3
- 平均分子量
- 119.12 g/mol
- 単同位体質量
- 119.05824315
概要
D-allothreonine is the D-enantiomer of allothreonine. It occurs as a component of peptido-lipids in certain bacteria. It has a role as a bacterial metabolite. It is a D-alpha-amino acid and an allothreonine. It is an enantiomer of a L-allothreonine. It is a tautomer of a D-allothreonine zwitterion.
名称と識別子
- 優先名称
- D-Allothreonine
- IUPAC
- (2R,3R)-2-amino-3-hydroxybutanoic acid
名称と別名
D-AllothreonineD-allo-Threonine24830-94-2(2R,3R)-2-amino-3-hydroxybutanoic acid(R)-Allothreonine(2R,3R)-Allothreonine(R)-allo-ThreonineAllothreonine, D-EINECS 246-488-0NSC 206267BRN 1721644CHEBI:32826
名称をさらに表示
DTXSID40179542NSC-206267(2R,3R)-3-HYDROXY-2-AMINOBUTANOIC ACIDRefChem:581605DTXCID00102033H-D-ALLO-THR-OHD(-)-allo-ThreonineMFCD00004526
データベース識別子
- CAS
144-98-9、24830-94-2- PubChem CID
- 90624
- DTXSID
DTXSID40179542- ChEMBL
CHEMBL319354- ChEBI
CHEBI:32826- UNII
- 0756UWA0SA
- EC Number
- 205-645-3、246-488-0
- Nikkaji
- J1.320J
物性
構造計算による物性
- XLogP
- -2.9
- 極性表面積
- 83.6 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
- 8
- 形式電荷
- 0
- 複雑度
- 93.3
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 5% (1 of 20) of reports.
Warning
H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 20 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 3 (90%)
関連反応
43 件
関連ノート
読み込み中…