기본 정보
- CAS
945721-10-8- 표준 SMILES
CCO[C@H]1C[C@@H]2C(C(=O)OC)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@H](C)O1- InChIKey
IRKFOLIBBQDADK-LEYKIWRXSA-N- 분자식
- C19H30O11
- 평균 분자량
- 434.4 g/mol
- 단동위원소 질량
- 434.17881177
개요
7-O-Ethylmorroniside is a glycoside.
이름 및 식별자
- 우선 이름
- 7-O-Ethylmorroniside
- IUPAC
- methyl (1S,3R,4aS,8S,8aS)-3-ethoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
- 현지명
- 7-O-에틸-모로니시드
- 영어명
- 7-O-ethyl-Morroniside
- 분자식
- C19H30O11
- 분자량
- 434.44
이름 및 동의어
7-O-Ethylmorroniside945721-10-8Methyl (1S,3R,4aS,8S,8aS)-3-ethoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate7-O-ethyl-morronisideCHEMBL41672737beta-O-Ethylmorroniside7|?-O-Ethylmorroniside7beta-O-ethyl-morronisideorb1684807SCHEMBL31179882CHEBI:228845HY-N2608
이름 더 보기
7-O-에틸-모로니시드O-Ethylmorroniside7β-O-EthylmorronisideO-Ethylmorroniside, 7-7-O-ethyl-Morroniside ISO 9001：2015 REACH(1S,3R,4aS,8S,8aS)-3-Ethoxy-8-(beta-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-1H,3H-pyrano[3,4-c]pyran-5-carboxylic acid methyl ester1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 3-ethoxy-8-(β-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-, methyl ester, (1S,3R,4aS,8S,8aS)-methyl (1R,4aS,8S,8aS)-3-ethoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 153 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 626
물리화학적 성질
- 끓는 점
- 611.7 · 611.7±55.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.8 · 12.80±0.70(Predicted)
화학 및 산업
응용 분야
용도7-O-Ethylmorroniside is a derivative of Morroniside (M725700), a pharmaceutical agent improving microvascular functional integrity and vascular elements of the neurovascular unit in the treatment of cerebral ischemia.
공급사74 곳
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合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Aladdin Scientific[email protected]
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