기본 정보
- CAS
179457-69-3- 표준 SMILES
COc1cc2c(cc1C(=O)O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=CC(C)(C)O2- InChIKey
BKABLXWGRDWHDB-GWOWOUNZSA-N- 분자식
- C25H34O14
- 평균 분자량
- 558.5 g/mol
이름 및 식별자
- 우선 이름
- Macrophylloside D
- IUPAC
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 7-methoxy-2,2-dimethylchromene-6-carboxylate
- 영어명
- Macrophylloside D
- 분자식
- C25H34O14
- 분자량
- 558.53
이름 및 동의어
Macrophylloside D179457-69-3((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl) 7-methoxy-2,2-dimethylchromene-6-carboxylate(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-((((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)methyl)oxan-2-yl 7-methoxy-2,2-dimethyl-2H-chromene-6-carboxylic acid(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 7-methoxy-2,2-dimethyl-2H-chromene-6-carboxylic acid[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 7-methoxy-2,2-dimethylchromene-6-carboxylateRefChem:155017orb1680197TN6558AKOS040763554FS-8229β-D-Glucopyranose, 6-O-β-D-glucopyranosyl-, 1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylate)
데이터베이스 식별자
- CAS
179457-69-3- Nikkaji
- J761.707K
물성
구조 계산 물성
- XLogP
- -1.6
- 극성 표면적
- 214 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 868
물리화학적 성질
- 끓는 점
- 818.2 · 818.2±65.0 °C(Predicted)
- 밀도
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.44 · 12.44±0.70(Predicted)
화학 및 산업
공급사11 곳
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
南京狄尔格医药科技有限公司025-025-51191215 18013836722 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海禾午生物科技有限公司021-57886085 17317861055 · [email protected]
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