기본 정보
- CAS
1403898-70-3- 표준 SMILES
C[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CO)CN1C(=O)OC(C)(C)C- InChIKey
DVPLXTZRAMPJQO-GDBMZVCRSA-N- 분자식
- C19H28N2O5
- 평균 분자량
- 364.4 g/mol
- 단동위원소 질량
- 364.199822
이름 및 식별자
- 우선 이름
- 1-Benzyl 4-(tert-butyl) (2R,5R)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylate
- IUPAC
- 1-O-benzyl 4-O-tert-butyl (2R,5R)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylate
- 영어명
- 1,4-Piperazinedicarboxylic acid, 2-(hydroxymethyl)-5-methyl-, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R,5R)-
- 분자식
- C19H28N2O5
- 분자량
- 364.44
이름 및 동의어
1403898-70-31-Benzyl 4-(tert-butyl) (2R,5R)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylateMFCD326604021-O-benzyl 4-O-tert-butyl (2R,5R)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylate1,4-Piperazinedicarboxylic acid, 2-(hydroxymethyl)-5-methyl-, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R,5R)-SCHEMBL158120611-benzyl 4-tert-butyl (2R,5R)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylateDVPLXTZRAMPJQO-GDBMZVCRSA-NDTXSID501106216SY417625CS-0137106C92269
이름 더 보기
F618983[(2R,5R)-4-Boc-1-cbz-5-methylpiperazin-2-yl]methanol1-BenZyl 4-(t-butyl) (2R,5R)-2-(hydroxymethyl)-5-methylpiperaZine-1,4-dicarboxylate(2R,5R)-2-Hydroxymethyl-5-methyl-piperazine-1,4-dicarboxylic acid 1-benzyl ester 4-tert-butyl ester
데이터베이스 식별자
- CAS
1403898-70-3
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 79.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 485
물리화학적 성질
- 끓는 점
- 485.9 · 485.9±30.0 °C(Predicted)
- 밀도
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.97 · 14.97±0.10(Predicted)
화학 및 산업
공급사3 곳
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