[4R-[3(2(S*),5(R*),4R]]-3-[2-[1-[3-[Bis(phenylmethyl)amino]phenyl]propyl]-5-hydroxy-1,3-dioxo-5-(2-phenylethyl)-6-octynyl]-4-phenyl-2-oxazolidinone
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기본 정보
- CAS
188559-22-0- 표준 SMILES
CC#C[C@@](O)(CCc1ccccc1)CC(=O)[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@H](CC)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1- InChIKey
NWQXDMCBNUXVPH-OOYLSIGHSA-N- 분자식
- C48H48N2O5
- 평균 분자량
- 732.921 g/mol
- 단동위원소 질량
- 732.35632264
이름 및 식별자
- 우선 이름
- [4R-[3(2(S*),5(R*),4R]]-3-[2-[1-[3-[Bis(phenylmethyl)amino]phenyl]propyl]-5-hydroxy-1,3-dioxo-5-(2-phenylethyl)-6-octynyl]-4-phenyl-2-oxazolidinone
- IUPAC
- (2S,5R)-2-{(1S)-1-[3-(Dibenzylamino)phenyl]propyl}-5-hydroxy-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-5-(2-phenylethyl)oct-6-yne-1,3-dione
- 영어명
- [4R-[3(2(S*),5(R*),4R]]-3-[2-[1-[3-[Bis(phenylmethyl)amino]phenyl]propyl]-5-hydroxy-1,3-dioxo-5-(2-phenylethyl)-6-octynyl]-4-phenyl-2-oxazolidinone
- 분자식
- C48H48N2O5
- 분자량
- 732.91
이름 및 동의어
[4R-[3[2S*(S*),5R*],4R*]]- 3-[2-[1-[3-[Bis(phenylMethyl)aMino]phenyl]propyl]-5-hydroxy-1,3-dioxo-5-(2-pheny(2S,5R)-2-((S)-1-(3-(dibenzylamino)phenyl)propyl)-5-hydroxy-1-((R)-2-oxo-4-phenyloxazolidin-3-yl)-5-phenethyloct-6-yne-1,3-dione[4R-[3(2(S*),5(R*),4R]]-3-[2-[1-[3-[Bis(phenylmethyl)amino]phenyl]propyl]-5-hydroxy-1,3-dioxo-5-(2-phenylethyl)-6-octynyl]-4-phenyl-2-oxazolidinone6-Octyne-1,3-dione, 2-[(1S)-1-[3-[bis(phenylmethyl)amino]phenyl]propyl]-5-hydroxy-1-[(4R)-2-oxo-4-phenyl-3-oxazolidinyl]-5-(2-phenylethyl)-, (2S,5R)-[4R-[3[2S*(S*),5R*],4R*]]- 3-[2-[1-[3-[Bis(phenylmethyl)amino]phenyl]propyl]-5-hydroxy-1,3-dioxo-5-(2-phenylethyl)-6-octynyl]-4-phenyl-2-oxazolidinone
데이터베이스 식별자
- CAS
188559-22-0- PubChem CID
- 10974638
- DTXSID
DTXSID60450300
물성
물리화학적 성질
- 끓는 점
- 904.3 · 904.3±65.0 °C(Predicted)
- 밀도
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- 용해도
- 클로로포름, 디클로로메탄, 에틸아세테이트에 용해됨
- 산도 계수 (pKa)
- 10.83 · 10.83±0.40(Predicted)
- 물리적 상태
- 고체
- 색상
- 노란색
화학적 성질
Yellow Solid
화학 및 산업
응용 분야
용도Intermediate for the synthesis of Tipranavir
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