기본 정보
- CAS
1426953-24-3- 표준 SMILES
CC(/C=C/[C@H]1O[C@H](CC(=O)O)C[C@@](O)(CCl)[C@@H]1O)=C\C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)OC(=O)C(C)C)C[C@@H]1C- InChIKey
IUEAQIHFZAHMMU-WEDQMBCXSA-N- 분자식
- C30H46ClNO9
- 평균 분자량
- 600.1 g/mol
- 단동위원소 질량
- 599.2861097
개요
Thailanstatin C is a C-glycosyl compound.
이름 및 식별자
- 우선 이름
- Thailanstatin C
- IUPAC
- 2-[(2S,4S,5R,6R)-4-(chloromethyl)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z,4S)-4-(2-methylpropanoyloxy)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4,5-dihydroxyoxan-2-yl]acetic acid
- 영어명
- Thailanstatin C
- 분자식
- C30H46ClNO9
- 분자량
- 600.14
이름 및 동의어
Thailanstatin C2-[(2S,4S,5R,6R)-4-(chloromethyl)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z,4S)-4-(2-methylpropanoyloxy)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4,5-dihydroxyoxan-2-yl]acetic acid2-((2S,4S,5R,6R)-4-(chloromethyl)-6-((1E,3E)-5-((2S,3S,5R,6R)-3,6-dimethyl-5-(((Z,4S)-4-(2-methylpropanoyloxy)pent-2-enoyl)amino)oxan-2-yl)-3-methylpenta-1,3-dienyl)-4,5-dihydroxyoxan-2-yl)acetic acidRefChem:1890041426953-24-32-((2S,4S,5R,6R)-4-(Chloromethyl)-4,5-dihydroxy-6-((1E,3E)-5-((2S,3S,5R,6R)-5-((S,Z)-4-(isobutyryloxy)pent-2-enamido)-3,6-dimethyltetrahydro-2H-pyran-2-yl)-3-methylpenta-1,3-dien-1-yl)tetrahydro-2H-pyran-2-yl)acetic acidorb1691714CHEMBL2331577SCHEMBL31495227CHEBI:210766EX-A5054AKOS040756787
이름 더 보기
2-[(2S,4S,5R,6R)-4-(chloromethyl)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[(2Z,4S)-4-[(2-methylpropanoyl)oxy]pent-2-enamido]oxan-2-yl]-3-methylpenta-1,3-dien-1-yl]-4,5-dihydroxyoxan-2-yl]acetic acid2H-Pyran-2-acetic acid, 4-(chloromethyl)tetrahydro-4,5-dihydroxy-6-[(1E,3E)-3-methyl-5-[(2S,3S,5R,6R)-tetrahydro-3,6-dimethyl-5-[[(2Z,4S)-4-(2-methyl-1-oxopropoxy)-1-oxo-2-penten-1-yl]amino]-2H-pyran-2-yl]-1,3-pentadien-1-yl]-, (2S,4S,5R,6R)-
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 152 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 996
물리화학적 성질
- 끓는 점
- 776.9 · 776.9±60.0 °C(Predicted)
- 밀도
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.38 · 4.38±0.10(Predicted)
화학 및 산업
공급사18 곳
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
台州市科德化工有限公司0576-84613060 13093829633;13736603231 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
BOC Sciences16314854226; +8616314854226 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
威尔曼医药集团有限公司15807197853 18971451745 · [email protected]
湖南秉航新材料有限公司85521272 18932438858 · [email protected]
长沙福臻生物科技有限公司
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