기본 정보
- CAS
138772-01-7- 표준 SMILES
C=CCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1- InChIKey
KNUPPNGCEAQRSV-XCPHWCDESA-N- 분자식
- C22H32O11
- 평균 분자량
- 472.5 g/mol
- 단동위원소 질량
- 472.19446183
개요
(2S,3R,4S,5S,6R)-2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol has been reported in Sapindus mukorossi and Lilium mackliniae with data available.
이름 및 식별자
- 우선 이름
- Eugenol rutinoside
- IUPAC
- (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
- 영어명
- Eugenol rutinoside
- 분자식
- C22H32O11
- 분자량
- 472.48
이름 및 동의어
Eugenol rutinoside(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol(2S,3R,4R,5R,6R)-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl)methoxy)oxane-3,4,5-triolRefChem:1085262138772-01-7C22H32O11orb1682594HY-N3880MFCD20275014TN4033AKOS032948226OE44165
이름 더 보기
b-D-Glucopyranoside, 2-methoxy-4-(2-propenyl)phenyl 6-O-(6-deoxy-a-L-mannopyranosyl)-β-D-Glucopyranoside, 2-methoxy-4-(2-propen-1-yl)phenyl 6-O-(6-deoxy-α-L-mannopyranosyl)-2-Methoxy-4-(2-propen-1-yl)phenyl 6-O -(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside (ACI)
DA-73248FS-10322CS-0024395D85083-D-Glucopyranoside, 2-methoxy-4-(2-propenyl)phenyl 6-O-(6-deoxy--L-mannopyranosyl)-(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-(4-allyl-2-methoxy-phenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol
물성
구조 계산 물성
- XLogP
- -0.8
- 극성 표면적
- 168 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 621
물리화학적 성질
- 끓는 점
- 690.7 · 690.7±55.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 12.8 · 12.80±0.70(Predicted)
화학 및 산업
공급사53 곳
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Aladdin Scientific[email protected]
桂林莱科生物科技有限公司18978670903 18107731009 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
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