(2R)-2-azaniumyl-3-phenylpropanoate
기본 정보
- CAS
673-06-3- 표준 SMILES
[NH3+][C@H](Cc1ccccc1)C(=O)[O-]- InChIKey
COLNVLDHVKWLRT-MRVPVSSYSA-N- 분자식
- C9H11NO2
- 평균 분자량
- 165.19 g/mol
- 단동위원소 질량
- 165.07897859
개요
D-phenylalanine zwitterion is a D-alpha-amino acid zwitterion that is D-phenylalanine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. It is an enantiomer of a L-phenylalanine zwitterion. It is a tautomer of a D-phenylalanine.
이름 및 식별자
- 우선 이름
- (2R)-2-azaniumyl-3-phenylpropanoate
- IUPAC
- (2R)-2-azaniumyl-3-phenylpropanoate
- 영어명
- D-Phenylalanine
- 분자식
- C9H11NO2
- 분자량
- 165.19
이름 및 동의어
(2R)-2-azaniumyl-3-phenylpropanoatePHENYLALANINEd-pheH-D-PHE-OHD-Phe-OHEndorphenylD-Phenylalanin(R)-PHENYLALANINED(+)-PHENYLALANINE(R)-2-amino-3-phenylpropanoic acid(2R)-2-Amino-3-phenylpropanoic acid
데이터베이스 식별자
- CAS
673-06-3- PubChem CID
- 6919011
- ChEBI
CHEBI:57981
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 67.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 147
물리화학적 성질
- 녹는점
- 273 · 273-276 °C(lit.)
- 끓는 점
- 293.03 °C · 293.03°C (rough estimate)
- 밀도
- 1.1603 · 1.1603 (rough estimate)
- 굴절률
- 34 ° · 34 ° (C=2, H2O)
- 저장 조건
- Store at RT.
- 용해도
- 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 2.2 · 2.2(at 25℃)
- 색상
- 흰색에서 황백색까지
- 수용성
- 27 g/L · 27 g/L (20 ºC)
- Merck
- 14 · 14,7271
- BRN
- 2804068 · 2804068
- 안정성
- 안정적인. 강한 산화제, 산, 염기와 호환되지 않습니다.
- 주요 응용
- 세포 분석
- InChI
- 1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
- InChIKey
- COLNVLDHVKWLRT-MRVPVSSYSA-N
- SMILES
- N[C@H](Cc1ccccc1)C(O)=O
- LogP
- 0.235 · 0.235 (est)
- EPA
- D-Phenylalanine (673-06-3)
화학적 성질
White crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AY7533000
- 독성
- TDLo orl-hmn: 500 mg/kg/5W-I:GIT JACTDZ 1(3),124,82
- HS 번호
- 29224995
- risk_code
- 34
- hazard_code
- Xi,C
- safety_code
- 24/25-45-36/37/39-27-26
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요D-Phenylalanine, also known as D-alpha-Amino-beta-phenylpropionic acid, is a kind of non-proteinogenic amino acid. The biological function of D-phenylalanine remains unclear. However, it has certain anti-depressant, analgesic activities and pharmacological activity at niacin receptor II. The mechanism action of its analgesic activity seems to originate from its inhibition of enkephalin degradation by the carboxypeptidase A. Enkephalins are part of your body’s natural pain relief system. When they are broken down by enkephalinase, this contributes to the sensation of pain. D-Phenylalanine is specifically thought to be beneficial for reducing feelings of chronic pain. D-phenylalanine has been used with mixed results to treat chronic pain, including pain caused by rheumatoid arthritis. The primary use of D-phenylalanine as a health supplement is the relief of discomfort.
용도D-Phenylalanine, the stereoisomer of L-Phenylalanine (P319415) has been used in the synthesis of Schaeffer’s acid analogues as important structures in tuberculostatic design. They exhibit the ability to inhibit Mycobacterium tuberculosis type II dehydroquinase.
일반 설명D-phenylalanine appears as needles or prisms.
상·하류 제품 정보
상류 원료
하류 제품
추가 설명
정의ChEBI: D-phenylalanine is the D-enantiomer of phenylalanine. It is a phenylalanine and a D-alpha-amino acid. It is a conjugate base of a D-phenylalaninium. It is a conjugate acid of a D-phenylalaninate. It is an enantiomer of a L-phenylalanine. It is a tautomer of a D-phenylalanine zwitterion.
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