기본 정보
- 표준 SMILES
CCCc1cc(-c2ccc(C(F)(F)F)cc2CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H](OC(=O)Oc2ccc(CCOP(=O)(OCc3ccccc3)OCc3ccccc3)cc2OC)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC)cc1F- InChIKey
KDUVCOCDPSXANL-AQRVFLJFSA-N- 분자식
- C58H58F10NO11P
- 평균 분자량
- 1,166 g/mol
이름 및 식별자
- 우선 이름
- 4-(2-{[bis(benzyloxy)phosphoryl]oxy}ethyl)-2-methoxyphenyl (1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-((tert-butoxycarbonyl){[4'-fluoro-5'-propyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}amino)propyl carbonate
- IUPAC
- [4-[2-bis(phenylmethoxy)phosphoryloxyethyl]-2-methoxyphenyl] [(1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-(4-fluoro-2-methoxy-5-propylphenyl)-5-(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] carbonate
이름 및 동의어
KDUVCOCDPSXANL-AQRVFLJFSA-N4-(2-{[bis(benzyloxy)phosphoryl]oxy}ethyl)-2-methoxyphenyl (1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-((tert-butoxycarbonyl){[4'-fluoro-5'-propyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}amino)propyl carbonate
데이터베이스 식별자
- PubChem CID
- 123701204
물성
구조 계산 물성
- XLogP
- 14.6
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 81
- 형식 전하
- 0
- 복잡도
- 1,920
관련 반응
1건
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