카르바미산,[(1R)-4-[(메틸술포닐)옥시]-1-[[(메틸술포닐)옥시]메틸]부틸]-,페닐메틸에스테르(9CI)
(R)-2-(((Benzyloxy)carbonyl)amino)pentane-1,5-diyl dimethanesulfonate
기본 정보
- CAS
478646-29-6- 표준 SMILES
CS(=O)(=O)OCCC[C@H](COS(C)(=O)=O)NC(=O)OCc1ccccc1- InChIKey
KCFOBEWHXVUCNN-CQSZACIVSA-N- 분자식
- C15H23NO8S2
- 평균 분자량
- 409.5 g/mol
- 단동위원소 질량
- 409.0865087
이름 및 식별자
- 우선 이름
- (R)-2-(((Benzyloxy)carbonyl)amino)pentane-1,5-diyl dimethanesulfonate
- IUPAC
- [(4R)-5-methylsulfonyloxy-4-(phenylmethoxycarbonylamino)pentyl] methanesulfonate
- 현지명
- 카르바미산,[(1R)-4-[(메틸술포닐)옥시]-1-[[(메틸술포닐)옥시]메틸]부틸]-,페닐메틸에스테르(9CI)
- 영어명
- Carbamicacid,[(1R)-4-[(methylsulfonyl)oxy]-1-[[(methylsulfonyl)oxy]methyl]butyl]-,phenylmethylester(9CI)
- 분자식
- C15H23NO8S2
- 분자량
- 409.48
이름 및 동의어
478646-29-6(R)-2-(((Benzyloxy)carbonyl)amino)pentane-1,5-diyl dimethanesulfonateC15H23NO8S2(R)-2-(Benzyloxycarbonylamino)pentane-1,5-diyl dimethanesulfonate[(4R)-5-methylsulfonyloxy-4-(phenylmethoxycarbonylamino)pentyl] methanesulfonateSCHEMBL5141850DTXSID20735140KCFOBEWHXVUCNN-CQSZACIVSA-N(R)-2-(((Benzyloxy)carbonyl)amino)pentane-1,5-diyldimethanesulfonateAKOS015968973DB-023410(2R)-2-{[(Benzyloxy)carbonyl]amino}pentane-1,5-diyl dimethanesulfonate
이름 더 보기
카르바미산,[(1R)-4-[(메틸술포닐)옥시]-1-[[(메틸술포닐)옥시]메틸]부틸]-,페닐메틸에스테르(9CI)(R)-2-Benzyloxycarbonylamino-1,5-dimethanesulfonyloxypentaneCarbamicacid, [(1R)-4-[(methylsulfonyl)oxy]-1-[[(methylsulfo...Carbamicacid, [(1R)-4-[(methylsulfonyl)oxy]-1-[[(methylsulfonyl)oxy]methyl]butyl]-,phenylmethyl esterCarbamicacid,[(1R)-4-[(methylsulfonyl)oxy]-1-[[(methylsulfonyl)oxy]methyl]butyl]-,phenylmethylester(9CI)
(2R)-2-{[(Benzyloxy)carbonyl]amino}-5-[(methylsulfonyl)oxy]pentyl methanesulfonate[(1R)-4-[(Methylsulfonyl)oxy]-1-[[(methylsulfonyl)oxy]methyl]butyl]carbamic acid phenylmethyl ester
데이터베이스 식별자
- CAS
478646-29-6- PubChem CID
- 66524788
- DTXSID
DTXSID20735140
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 142 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 615
물리화학적 성질
- 끓는 점
- 660.5 · 660.5±55.0 °C(Predicted)
- 밀도
- 1.341 · 1.341
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 11.28 · 11.28±0.46(Predicted)
관련 반응
6건
화합물 노트
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