기본 정보
- 표준 SMILES
N[C@H](Cc1ccc(O)cc1)C(=O)O- InChIKey
OUYCCCASQSFEME-MRVPVSSYSA-N- 분자식
- C9H11NO3
- 평균 분자량
- 181.19 g/mol
- 단동위원소 질량
- 181.07389321
이름 및 식별자
- 우선 이름
- D-Tyrosine
- IUPAC
- (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid
- 영어명
- D-Tyrosine
- 분자식
- C9H11NO3
- 분자량
- 181.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
556-02-5- PubChem CID
- 71098
- DTXSID
DTXSID50883441- ChEMBL
CHEMBL1076637- ChEBI
CHEBI:28479- UNII
- WQ5G9JQ7GC
- EC Number
- 209-112-6
- Nikkaji
- J9.196K
물성
구조 계산 물성
- XLogP
- -2.3
- 극성 표면적
- 83.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 176
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 300 °C · >300 °C (lit.)
- 끓는 점
- 314.29 °C · 314.29°C (rough estimate)
- 밀도
- 1.2375 · 1.2375 (rough estimate)
- 굴절률
- 11.2 ° · 11.2 ° (C=5, 1mol/L HCl)
- 저장 조건
- Store at RT.
- 용해도
- 산성수(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
- 산도 계수 (pKa)
- 2.25 · 2.25±0.10(Predicted)
- 물리적 상태
- 결정 또는 분말
- 색상
- 흰색에서 황백색까지
- 수용성
- 녹는
- Merck
- 14 · 14,9839
- BRN
- 2212157 · 2212157
- 주요 응용
- 펩타이드 합성
- 화장품 원료 기능
- 향기헤어 컨디셔닝대전방지제피부 컨디셔닝
- InChI
- 1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1
- InChIKey
- OUYCCCASQSFEME-UHFFFAOYSA-N
- SMILES
- N[C@H](Cc1ccc(O)cc1)C(O)=O
- LogP
- -0.418 · -0.418 (est)
- EPA
- D-Tyrosine (556-02-5)
화학적 성질
white to off-white powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 82.4% (42 of 51) of all reports.
Warning
H315 (17.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (17.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (15.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 42 of 51 reports by companies.;There are 6 notifications provided by 9 of 51 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
규제 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29225000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도D-Tyrosine, the stereoisomer to L-Tyrosine (T899975), is an amino acid used in various organic syntheses for antibiotics. It is used in the synthesis of (-)-anisomycin, as well as BATSI (boronic acid transition state inhibitors) which act on β-lactamases. It has also been studied as an inhibitor of microbial growth on surfaces, reducing microbial attachment to hydrophillic glass and hydrophobic po lypropylene surfaces.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: D-tyrosine is an optically active form of tyrosine having D-configuration. It has a role as an Escherichia coli metabolite. It is a tyrosine and a D-alpha-amino acid. It is a conjugate base of a D-tyrosinium. It is a conjugate acid of a D-tyrosinate(1-). It is an enantiomer of a L-tyrosine. It is a tautomer of a D-tyrosine zwitterion.
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