(1R,3AR,4S,7aR)-7a-methyl-1-((R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl)octahydro-1H-inden-4-ol
기본 정보
- CAS
2454249-03-5- 표준 SMILES
C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C- InChIKey
JWHYYOQXWVGRFX-NIFZNCRKSA-N- 분자식
- C18H28F6O2
- 평균 분자량
- 390.4 g/mol
이름 및 식별자
- 우선 이름
- (1R,3AR,4S,7aR)-7a-methyl-1-((R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl)octahydro-1H-inden-4-ol
- IUPAC
- (1R,3aR,4S,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
- 영어명
- 1H-Indene-1-pentanol, octahydro-4-hydroxy-ε,7a-dimethyl-α,α-bis(trifluoromethyl)-, (εR,1R,3aR,4S,7aR)-
- 분자식
- C18H28F6O2
- 분자량
- 390.41
이름 및 동의어
2454249-03-5(1R,3AR,4S,7aR)-7a-methyl-1-((R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl)octahydro-1H-inden-4-olFalecalcitriol Impurity 11H-Indene-1-pentanol, octahydro-4-hydroxy-epsilon,7a-dimethyl-alpha,alpha-bis(trifluoromethyl)-, (epsilonR,1R,3aR,4S,7aR)-AC-37212H84977Intermediate of fluorocalcitriol(εR,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-ε,7a-dimethyl-α,α-bis(trifluoromethyl)-1H-indene-1-pentanol1H-Indene-1-pentanol, octahydro-4-hydroxy-ε,7a-dimethyl-α,α-bis(trifluoromethyl)-, (εR,1R,3aR,4S,7aR)-(1R,3aR,4S,7aR)-7a-methyl-1-((R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2 yl)octahydro-1H-inden-4-o
데이터베이스 식별자
- CAS
2454249-03-5
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 475
물리화학적 성질
- 끓는 점
- 402.2 · 402.2±40.0 °C(Predicted)
- 밀도
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.77 · 9.77±0.29(Predicted)
관련 반응
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