기본 정보
- 표준 SMILES
COC(=O)CCCC#CC[C@H]1C(=O)C(C)(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1/C=C/C(CCc1sc2ccccc2c1Cl)O[Si](C)(C)C(C)(C)C- InChIKey
FNTLLCYVOVLDQL-HDPXZLBKSA-N- 분자식
- C40H61ClO5SSi2
- 평균 분자량
- 745.6 g/mol
이름 및 식별자
- 우선 이름
- 7-{(1r,4s,5r)-4-(Tert-butyl-dimethyl-silanyloxy)-5-[(e)-3-(tert-butyl-dimethyl-silanyloxy)-5-(3-chloro-benzo[b]thiophen-2-yl)-pent-1-enyl]-3,3-dimethyl-2-oxo-cyclopentyl}-hept-5-ynoic acid methyl ester
- IUPAC
- methyl 7-[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-chloro-1-benzothiophen-2-yl)pent-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]hept-5-ynoate
이름 및 동의어
SCHEMBL660994FNTLLCYVOVLDQL-HDPXZLBKSA-N7-{(1r,4s,5r)-4-(tert-butyl-dimethyl-silanyloxy)-5-[(e)-3-(tert-butyl-dimethyl-silanyloxy)-5-(3-chloro-benzo[b]thiophen-2-yl)-pent-1-enyl]-3,3-dimethyl-2-oxo-cyclopentyl}-hept-5-ynoic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 66760941
물성
구조 계산 물성
- 극성 표면적
- 90.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,240
관련 반응
4건
화합물 노트
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