기본 정보
- CAS
1357910-26-9- 표준 SMILES
C[C@@H]1O[C@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
GKRBWXABVALDGQ-OWARGZBISA-N- 분자식
- C29H36O15
- 평균 분자량
- 624.6 g/mol
이름 및 식별자
- 우선 이름
- (2R,3R,4S,5R,6R)-2-(3,4-Dihydroxyphenethoxy)-3,5-dihydroxy-6-((((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-4-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
- IUPAC
- [(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- 현지명
- 이소포시티아사이드
- 영어명
- Isoforsythiaside
- 분자식
- C29H36O15
- 분자량
- 624.59
이름 및 동의어
1357910-26-9(2R,3R,4S,5R,6R)-2-(3,4-Dihydroxyphenethoxy)-3,5-dihydroxy-6-((((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-4-yl (E)-3-(3,4-dihydroxyphenyl)acrylateMFCD26967853Isoforsy-thiasideIsoforsythiaside AIsoforsythiaside standardorb1220910orb1303404CHEMBL6149092SCHEMBL30017593BDBM512788Isoforsythiaside, 10 mM in DMSO
이름 더 보기
이소포시티아사이드Isoforsythiasideβ-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 6-O-(6-deoxy-β-L-mannopyranosyl)-, 3-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
HY-N25942-propan-2-ylpyridine-3-carbonitrileAKOS030530331EBC-616427T3S1088CS-0022969(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-4-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
물성
구조 계산 물성
- XLogP
- -0.5
- 극성 표면적
- 245 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 936
물리화학적 성질
- 끓는 점
- 926.2 · 926.2±65.0 °C(Predicted)
- 밀도
- 1.6 · 1.60±0.1 g/cm3 (20 ºC 760 Torr)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 9.32 · 9.32±0.10(Predicted)
- 물리적 상태
- Solid
- 색상
- White to light yellow
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