Ils-920
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기본 정보
- CAS
892494-07-4- 표준 SMILES
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)[C@@H]2CC[C@H](/C=C/1C)ON2c1ccccc1- InChIKey
WZFNBQBUDJACCD-ZSYWEHCUSA-N- 분자식
- C57H86N2O14
- 평균 분자량
- 1,023.3 g/mol
- 단동위원소 질량
- 1,022.60790542
개요
ILS-920 is under investigation in clinical trial NCT00827190 (Study Evaluating Single Ascending Doses Of ILS-920).
이름 및 식별자
- 우선 이름
- Ils-920
- IUPAC
- (1R,2E,4S,6S,9R,10R,18S,21S,24R,25E,27R,28R,30R,32S,33S)-10,27-dihydroxy-21-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-4,28-dimethoxy-3,9,24,26,30,32-hexamethyl-34-phenyl-20,35,38-trioxa-13,34-diazatetracyclo[31.2.2.16,10.013,18]octatriaconta-2,25-diene-11,12,19,23,29-pentone
- 영어명
- WAY-265920 (ILS 920)
- 분자식
- C57H86N2O14
- 분자량
- 1023.32
이름 및 동의어
ILS-920UNII-F2D5P81X82892494-07-4ILS 920F2D5P81X82WAY-26592023,27-Epoxy-15,18-ethenopyrido(2,1-R)(1,16,2,19)dioxadiazacyclohentriacontine-1,5,11,28,29(6H,12H,31H)-pentone, 3,4,9,10,13,14,15,16,18,21,22,23,24,25,26,27,32,33,34,34a-eicosahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-3,4,9,10,13,14,15,16,18,21,22,23,24,25,26,27,32,33,34,34a-Eicosahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-1-methylethyl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-16-phenyl-23,27-epoxy-15,18-ethenopyrido(2,1-R)(1,16,23,4,9,10,13,14,15,16,18,21,22,23,24,25,26,27,32,33,34,34A-EICOSAHYDRO-9,27-DIHYDROXY-3-((1R)-2-((1S,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHYL)-10,21-DIMETHOXY-6,8,12,14,20,26-HEXAMETHYL-16-PHENYL-23,27-EPOXY-15,18-ETHENOPYRIDO(2,1-R)(1,16,2,19)DIOXADIAZACYCLOHENTRIACONTINE-1,5,11,28,29(6H,12H,31H)-PENTONERefChem:14789923,27-EPOXY-15,18-ETHENOPYRIDO(2,1-R)(1,16,2,19)DIOXADIAZACYCLOHENTRIACONTINE-1,5,11,28,29(6H,12H,31H)-PENTONE, 3,4,9,10,13,14,15,16,18,21,22,23,24,25,26,27,32,33,34,34A-EICOSAHYDRO-9,27-DIHYDROXY-3-((1R)-2-((1S,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHYL)-10,21-DIMETHOXY-6,8,12,14,20,26-HEXAMETHYL-16-PHENYL-,(3S,6R,7E,9R,10R,12R,14S,15S,18R,19E,21S,23S,26R,27R,34AS)-(3S,6R,7E,9R,10R,12R,14S,15S,18R,19E,21S,23S,26R,27R,34AS)-
물성
구조 계산 물성보충 중
- XLogP
- 6.9
- 극성 표면적
- 208 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 73
- 형식 전하
- 0
- 복잡도
- 1,940
물리화학적 성질
- 끓는 점
- 1028.3 · 1028.3±75.0 °C(Predicted)
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 20 mg/mL, · DMSO: 20mg/mL, clear
- 산도 계수 (pKa)
- 10.39 · 10.39±0.70(Predicted)
- 물리적 상태
- powder
- 색상
- white to beige
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
관련 반응
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