基本情報
- CAS
515-24-2- 標準SMILES
C[N+]1(C)C[C@H](O)C[C@@H]1C(=O)[O-]- InChIKey
MUNWAHDYFVYIKH-PHDIDXHHSA-N- 分子式
- C7H13NO3
- 平均分子量
- 159.18 g/mol
- 単同位体質量
- 159.08954328
概要
Cis-4-hydroxy-D-proline betaine is an amino-acid betaine that is trans-4-hydroxy-D-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups. It has a role as a plant metabolite. It is an amino-acid betaine, a pyrrolidine alkaloid and a secondary alcohol.
名称と識別子
- 優先名称
- Turicine
- IUPAC
- (2R,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate
- 英語名
- Stachydrine
- 分子式
- C7H13NO3
- 分子量
- 159.18302
名称と別名
TuricineTuricine [MI]cis-4-hydroxy-D-proline betaine(2R,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylateUNII-2Z3FY9NSMR2Z3FY9NSMRPyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt, (2R,4R)-cis-hydroxyproline betaine(2R-Cis)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium inner saltCHEBI:85534(2R,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylateCombretine A
名称をさらに表示
StachydrineStachydrine USP/EP/BP13C,2H3]-Cis-4-Hydroxy-D-proline betaine
RefChem:192574515-24-2(+)-TuricineCombretin ASCHEMBL2582481DTXSID901155403AKOS030502853XT175862
データベース識別子
- CAS
515-24-2- PubChem CID
- 6560290
- DTXSID
DTXSID901155403- ChEBI
CHEBI:85534- UNII
- 2Z3FY9NSMR
- Nikkaji
- J3.221.651J
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 60.4 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 173
実験および物理化学的性質
Melting Point260 °C
Physical DescriptionSolid
物理化学的性質
- 融点
- 259 · 259-260°
- 比旋光度
- 20 · D20 +37.8° (c = 1 in water)
化学と産業
薬理情報
Cellular LocationsCytoplasm
応用分野
説明This base occurs in the fruit of Capparis torrnentosa, Citrus grandis and in Stachys tubi/era Naudin. It normally crystallizes as the monohydrate which has m.p. 116-8°C. The specific rotation is [α]>D- 40.25° (c 4.0, H20). It is soluble in EtOH and H20, insoluble in CHC13 and Et20. The free base is unstable in air and decomposes quite rapidly. The hydrochloride yields colourless crystals from EtOH with m.p. 222°C; [α]20D - 28.1° (c 4.83, H20); aurichloride, m.p. 232°C; platinichloride, decomposing at 200°C; oxalate, colourless needles, m.p. 105- 7°C and the picrate, m.p. 199-2000 C. The structure is that of the methylbetaine of hygric acid.
補足説明
定義ChEBI: An amino-acid betaine that is trans-4-hydroxy-D-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups.
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