기본 정보
- CAS
147027-09-6- 표준 SMILES
CC(=O)O[C@H]1CS[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)O1- InChIKey
JYUPOLQFLIRYEQ-PBEGBBSFSA-N- 분자식
- C16H26O5S
- 평균 분자량
- 330.4 g/mol
- 단동위원소 질량
- 330.1500951
이름 및 식별자
- 우선 이름
- (1R,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexyl (2R,5R)-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate
- IUPAC
- [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate
- 영어명
- (2R,5R)-L-Menthyl-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate
- 분자식
- C16H26O5S
- 분자량
- 330.44
이름 및 동의어
147027-09-6(1R,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexyl (2R,5R)-5-(acetyloxy)-1,3-oxathiolane-2-carboxylateDTXSID50433940RefChem:205041DTXCID70384768(2R,5R)-L-Menthyl-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate(2R,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylate[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate1,3-Oxathiolane-2-carboxylic acid, 5-(acetyloxy)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5R)-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (2R,5R)-5-acetoxy-1,3-oxathiolane-2-carboxylateC16H26O5S(2R,5R)-L-Menthol-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate
이름 더 보기
(2R,5R)-(2R,5R)-L-Methyl-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate(2R,5R)-5-(Acetyloxy)-1,3-oxathiolane-2-carboxylic Acid (1R,2S,5R)-5-Methyl -2-(1-methylethyl)cyclohexyl Ester
SCHEMBL12635116MFCD12031461AKOS025294536AS-75011DB-246709CS-0357098(2R,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl5-acetoxy-1,3-oxathiolane-2-carboxylate[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2R,5R)-5-acetoxy-1,3-oxathiolane-2-carboxylate
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 87.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 411
물리화학적 성질
- 녹는점
- 97 · 97-99°C
- 끓는 점
- 412.459 · 412.459±45.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.16 · 1.160±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름, 메탄올에 용해됨
- 물리적 상태
- 고체
- 색상
- 하얀색
화학적 성질
White Solid
화학 및 산업
응용 분야
용도An intermediate for the preparation of Lamivudine and Emtricitabine.
공급사13 곳
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