기본 정보
- CAS
515-24-2- 표준 SMILES
C[N+]1(C)C[C@H](O)C[C@@H]1C(=O)[O-]- InChIKey
MUNWAHDYFVYIKH-PHDIDXHHSA-N- 분자식
- C7H13NO3
- 평균 분자량
- 159.18 g/mol
- 단동위원소 질량
- 159.08954328
개요
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betaine that is trans-4-hydroxy-D-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups.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.
이름 및 식별자
- 우선 이름
- Turicine
- IUPAC
- (2R,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate
- 영어명
- Stachydrine
- 분자식
- C7H13NO3
- 분자량
- 159.18302
이름 및 동의어
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
이름 더 보기
StachydrineStachydrine USP/EP/BP13C,2H3]-Cis-4-Hydroxy-D-proline betaine
RefChem:192574515-24-2(+)-TuricineCombretin ASCHEMBL2582481DTXSID901155403AKOS030502853XT175862
데이터베이스 식별자
- CAS
515-24-2- PubChem CID
- 6560290
- DTXSID
DTXSID901155403- ChEBI
CHEBI:85534- UNII
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 60.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 173
실험 및 물리화학적 성질
Melting Point260 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 259 · 259-260°
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
응용 분야
개요This 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.
공급사3 곳
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
추가 설명
정의ChEBI: 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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