기본 정보
- 표준 SMILES
COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)OC(C)(C)C- InChIKey
FBOGDNKBFVXJTM-ZDUSSCGKSA-N- 분자식
- C16H21NO5
- 평균 분자량
- 307.34 g/mol
- 단동위원소 질량
- 307.14197277
이름 및 식별자
- 우선 이름
- 2-tert-butyl 3-methyl (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxylate
- IUPAC
- 2-O-tert-butyl 3-O-methyl (3S)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate
이름 및 동의어
2-tert-butyl 3-methyl (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxylate2-O-tert-butyl 3-O-methyl (3S)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate262616-16-0SCHEMBL2895743SCHEMBL305920132-(tert-Butyl) 3-methyl (3S)-7-hydroxy-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylateFBOGDNKBFVXJTM-ZDUSSCGKSA-NAKOS005264138EN300-7435397Methyl 2-(t-butyloxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3(S)-carboxylate(3S)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester 3-methyl ester(s)-2-(t-butyloxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester
이름 더 보기
(S)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester 3-methyl ester
데이터베이스 식별자
- PubChem CID
- 21311306
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 76.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 431
관련 반응
6건
화합물 노트
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