7,8-디데히드로-4,5α-에폭시-17-메틸-6α-[(트리메틸실릴)옥시]모르피난-3-일2-O,3-O,4-O-트리스(트리메틸실릴)-β-D-글루코피라노시두론산트리메틸실릴에스테르
trimethylsilyl (2S,3R,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
기본 정보
- CAS
52092-53-2- 표준 SMILES
CN1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)c4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C5- InChIKey
CWOOEOUKXMVGCV-BZRAWFMESA-N- 분자식
- C38H67NO9Si5
- 평균 분자량
- 822.4 g/mol
이름 및 식별자
- 우선 이름
- trimethylsilyl (2S,3R,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
- IUPAC
- trimethylsilyl (2S,3R,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
- 현지명
- 7,8-디데히드로-4,5α-에폭시-17-메틸-6α-[(트리메틸실릴)옥시]모르피난-3-일2-O,3-O,4-O-트리스(트리메틸실릴)-β-D-글루코피라노시두론산트리메틸실릴에스테르
- 영어명
- 7,8-Didehydro-4,5α-epoxy-17-methyl-6α-[(trimethylsilyl)oxy]morphinan-3-yl 2-O,3-O,4-O-tris(trimethylsilyl)-β-D-glucopyranosiduronic acid trimethylsilyl ester
- 분자식
- C38H67NO9Si5
- 분자량
- 822.37
이름 및 동의어
7,8-디데히드로-4,5α-에폭시-17-메틸-6α-[(트리메틸실릴)옥시]모르피난-3-일2-O,3-O,4-O-트리스(트리메틸실릴)-β-D-글루코피라노시두론산트리메틸실릴에스테르7,8-Didehydro-4,5α-epoxy-17-methyl-6α-[(trimethylsilyl)oxy]morphinan-3-yl 2-O,3-O,4-O-tris(trimethylsilyl)-β-D-glucopyranosiduronic acid trimethylsilyl esterβ-D-Glucopyranosiduronic acid, (5α,6α)-7,8-didehydro-4,5-epoxy-17-methyl-6-[(trimethylsilyl)oxy]morphinan-3-yl 2,3,4-tris-O-(trimethylsilyl)-, trimethylsilyl ester (9CI)
데이터베이스 식별자
- CAS
52092-53-2- Nikkaji
- J125.690D
물성
구조 계산 물성
- 극성 표면적
- 94.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,370
물리화학적 성질
- 끓는 점
- 674.8 · 674.8±55.0 °C(Predicted)
- 밀도
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.03 · 8.03±0.40(Predicted)
관련 반응
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