(2S,3S,4R,5R,6S)-5-(Benzyloxy)-6-((5,7-bis(benzyloxy)-2-(4-(benzyloxy)phenyl)-4-oxo-4H-chromen-3-yl)oxy)-2-methyltetrahydro-2H-pyran-3,4-diyl diacetate
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기본 정보
- CAS
849938-27-8- 표준 SMILES
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](C)O[C@@H](Oc2c(-c3ccc(OCc4ccccc4)cc3)oc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3c2=O)[C@@H]1OCc1ccccc1- InChIKey
NJKJOSVFCLXHBI-QYJHCBGQSA-N- 분자식
- C53H48O12
- 평균 분자량
- 876.9 g/mol
- 단동위원소 질량
- 876.31457696
이름 및 식별자
- 우선 이름
- (2S,3S,4R,5R,6S)-5-(Benzyloxy)-6-((5,7-bis(benzyloxy)-2-(4-(benzyloxy)phenyl)-4-oxo-4H-chromen-3-yl)oxy)-2-methyltetrahydro-2H-pyran-3,4-diyl diacetate
- IUPAC
- [(2S,3S,4R,5R,6S)-4-acetyloxy-2-methyl-6-[4-oxo-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-3-yl]oxy-5-phenylmethoxyoxan-3-yl] acetate
- 영어명
- 5,7-Bis-(benzyloxy)-α-(4-(benzyloxy)phenyl)-3-[3,4-di-O-acetyl-α-O-acetyl-α-L-rhamnopyranosyloxyl]-4H-chromen-4-one
- 분자식
- C53H48O12
- 분자량
- 876.94
이름 및 동의어
849938-27-8(2S,3S,4R,5R,6S)-5-(Benzyloxy)-6-((5,7-bis(benzyloxy)-2-(4-(benzyloxy)phenyl)-4-oxo-4H-chromen-3-yl)oxy)-2-methyltetrahydro-2H-pyran-3,4-diyl diacetateSCHEMBL4273599NJKJOSVFCLXHBI-QYJHCBGQSA-N5,7-bis-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-[3,4-di-o-acetyl-2-o-benzyl-alpha-l-rhamnopyranosyloxy]-4h-chromen-4-one5,7-Bis-(benzyloxy)-α-(4-(benzyloxy)phenyl)-3-[3,4-di-O-acetyl-α-O-acetyl-α-L-rhamnopyranosyloxyl]-4H-chromen-4-one3-[[3,4-Di-O-acetyl-6-deoxy-2-O-(phenylMethyl)-α-L-Mannopyranosyl]oxy]-5,7-bis(phenylMethoxy)-2-[4-(phenylMethoxy)phenyl]-4H-1-benzopyran-44H-1-Benzopyran-4-one, 3-[[3,4-di-O-acetyl-6-deoxy-2-O-(phenylmethyl)-α-L-mannopyranosyl]oxy]-5,7-bis(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-
데이터베이스 식별자
- CAS
849938-27-8- PubChem CID
- 11354944
- Nikkaji
- J2.160.639A
물성
구조 계산 물성보충 중
- XLogP
- 9.3
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,530
물리화학적 성질
- 끓는 점
- 950.121 · 950.121±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.331 · 1.331±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 용해도
- 디클로로메탄, 에틸아세테이트, 메탄올에 용해됨
- 물리적 상태
- 기름
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