기본 정보
- CAS
200346-83-4- 표준 SMILES
CC[C@@H]([C@H](C)OC(=O)CCCOP(=O)(O)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O- InChIKey
NLHJBJQMMYCBTA-IGIZVOCXSA-N- 분자식
- C41H49F2N8O9P
- 평균 분자량
- 866.8 g/mol
- 단동위원소 질량
- 866.33281849
개요
Sch 59884 is a member of piperazines.
이름 및 식별자
- 우선 이름
- 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-((4-(4-(4-(1-((1S,2S)-1-ethyl-2-(1-oxo-4-(phosphonooxy)butoxy)propyl)-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl)phenyl)-1-piperazinyl)phenoxy)methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
- IUPAC
- [(2S,3S)-3-[4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl] 4-phosphonooxybutanoate
이름 및 동의어
Sch 59884200346-83-4DTXSID30431409RefChem:908792DTXCID903822412,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-((4-(4-(4-(1-((1S,2S)-1-ethyl-2-(1-oxo-4-(phosphonooxy)butoxy)propyl)-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl)phenyl)-1-piperazinyl)phenoxy)methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitolSCHEMBL20711882CHEBI:34971[(2S,3S)-3-[4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl] 4-phosphonooxybutanoateQ271163422,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{5-oxo-1-[(2S,3S)-2-{[4-(phosphonooxy)butanoyl]oxy}pentan-3-yl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
데이터베이스 식별자
- CAS
200346-83-4- PubChem CID
- 9833604
- DTXSID
DTXSID30431409- ChEBI
CHEBI:34971
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 185 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,520
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