기본 정보
- CAS
21907-94-8- 표준 SMILES
CC(=O)SCc1cnc(C)c(O)c1CO- InChIKey
RYECBGOLQYHLED-UHFFFAOYSA-N- 분자식
- C10H13NO3S
- 평균 분자량
- 227.28 g/mol
- 단동위원소 질량
- 227.06161445
이름 및 식별자
- 우선 이름
- Pyridoxine 5-thioacetate
- IUPAC
- S-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl] ethanethioate
- 현지명
- 5-아세틸티오메틸-3-히드록시-2-메틸-4-피리딘메탄올
- 영어명
- 5-Acetylthiomethyl-3-hydroxy-2-methyl-4-pyridinemethanol
- 분자량
- 0
이름 및 동의어
Pyridoxine 5-thioacetate21907-94-8BRN 15350755-Mercapto-pyridoxin-thioacetat [German]5-Mercapto-pyridoxin-thioacetatDTXSID301763234-Pyridinemethanol, 5-acetylthiomethyl-3-hydroxy-2-methyl-4-Pyridinemethanol, 3-hydroxy-5-(mercaptomethyl)-2-methyl-, S-acetate2-Methyl-3-hydroxy-4-hydroxymethyl-5-acetylmercaptomethyl-pyridin [German]Acetic acid, thio-, S-((3-hydroxy-4-(hydroxymethyl)-2-methyl-5-pyridyl)methyl) esterEthanethioic acid, S-((3-hydroxy-4-(hydroxymethyl)-2-methyl-5-pyridinyl)methyl) ester5-21-05-00502 (Beilstein Handbook Reference)
이름 더 보기
5-아세틸티오메틸-3-히드록시-2-메틸-4-피리딘메탄올5-Acetylthiomethyl-3-hydroxy-2-methyl-4-pyridinemethanolThioacetic acid S-[[3-hydroxy-4-(hydroxymethyl)-2-methylpyridin-5-yl]methyl] ester
2-Methyl-3-hydroxy-4-hydroxymethyl-5-acetylmercaptomethyl-pyridinEthanethioic acid, S-((5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl)methyl) esterRefChem:377435DTXCID30988144-Pyridinemethanol, 3-hydroxy-5-(mercaptomethyl)-2-methyl-, S-acetate (6CI)Ethanethioic acid, S-((3-hydroxy-4-(hydroxymethyl)-2-methyl-5-pyridinyl)methyl) ester (9CI)Ethanethioic acid, S-((5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl)methyl) ester (9CI)S-{[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl} ethanethioate
데이터베이스 식별자
- CAS
21907-94-8- PubChem CID
- 30855
- DTXSID
DTXSID30176323- Nikkaji
- J85.690H
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 95.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 225
관련 반응
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