기본 정보
- CAS
3269-79-2- 표준 SMILES
Cc1ncsc1CCOP(=O)(O)O- InChIKey
OCYMERZCMYJQQO-UHFFFAOYSA-N- 분자식
- C6H10NO4PS
- 평균 분자량
- 223.19 g/mol
- 단동위원소 질량
- 223.00681597
개요
4-methyl-5-(2-phosphonooxyethyl)thiazole is a monoalkyl phosphate and a member of 1,3-thiazoles. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 4-methyl-5-(2-phosphonatooxyethyl)thiazole(2-).
이름 및 식별자
- 우선 이름
- 4-Methyl-5-Hydroxyethylthiazole Phosphate
- IUPAC
- 2-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate
- 영어명
- 4-methyl-5-(2-phosphonooxyethyl)thiazole
- 분자식
- C6H10NO4PS
- 분자량
- 223.186661
이름 및 동의어
4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATERefChem:5253442-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate4-methyl-5-(2-phosphonooxyethyl)thiazole3269-79-2NIOSH/XJ46733004-Methyl-5-thiazoleethanol phosphate5-Thiazoleethanol, 4-methyl-, phosphateXJ46733000HET-P4-Methyl-5-(2-phosphorylethyl)thiazole4-Methyl-5-(2-phosphooxyethyl)thiazole
이름 더 보기
4-Methyl-5-(2-phosphono-oxyethyl)-thiazoleSCHEMBL459428CHEBI:17857DTXSID701209634DB03145PD007347NS000685365-(2-hydroxyethyl)-4-methylthiazole phosphate
데이터베이스 식별자
- CAS
3269-79-2- PubChem CID
- 1137
- DTXSID
DTXSID701209634- ChEBI
CHEBI:17857- Nikkaji
- J870.164D
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 209
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
화학 및 산업
응용 분야
용도4-Methyl-5-(2-phosphorylethyl)thiazole was used in the biosynthetic prepn. of 4-Methyl-5-(β-hydroxyethyl) thiazole phosphate using Bacillus subtilis proteins.
공급사1 곳
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
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