기본 정보
- CAS
155556-72-2- 표준 SMILES
CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O[Si](CC)(CC)CC)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C- InChIKey
XEYAPYLENSHPRC-FBICXEBMSA-N- 분자식
- C57H77NO13Si2
- 평균 분자량
- 1,040.4 g/mol
- 단동위원소 질량
- 1,039.49334458
이름 및 식별자
- 우선 이름
- Xeyapylenshprc-fbicxebmsa-
- IUPAC
- [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-3-phenyl-2-triethylsilyloxypropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
- 영어명
- 2',7-Bis-O-(Triethylsilyl) 10-Desacetyl Paclitaxel
- 분자식
- C57H77NO13Si2
- 분자량
- 1040.39
이름 및 동의어
87M7Z5ES9RXEYAPYLENSHPRC-FBICXEBMSA-2,7-Bis-O-(Triethylsilyl) 10-Desacetyl Paclitaxel[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-3-phenyl-2-triethylsilyloxypropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoateBenzenepropanoic acid, beta-(benzoylamino)-alpha-[(triethylsilyl)oxy]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (alphaR,betaS)-InChI=1/C57H77NO13Si2/c1-12-72(13-2,14-3)70-42-33-43-56(35-66-43,69-37(8)59)48-50(68-52(63)40-31-25-20-26-32-40)57(65)34-41(36(7)44(54(57,9)10)46(60)49(61)55(42,48)11)67-53(64)47(71-73(15-4,16-5)17-6)45(38-27-21-18-22-28-38)58-51(62)39-29-23-19-24-30-39/hPaclitaxel Impurity 77Glycerol phenylbutyrate Impurity 192',7-Bis-O-(Triethylsilyl) 10-Desacetyl Paclitaxel2a€,7-Bis-O-(Triethylsilyl) 10-Desacetyl Paclitaxel
물성
구조 계산 물성
- 극성 표면적
- 193 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 73
- 형식 전하
- 0
- 복잡도
- 2,000
물리화학적 성질
- 녹는점
- 109 · 109-113oC
- 끓는 점
- 961.869 · 961.869±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.221 · 1.221±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.273 · 11.273±0.70(predicted)
- 색상
- 회백색
화학적 성질
2',7-Bis-O-(Triethylsilyl) 10-Desacetyl Paclitaxel is White Solid
화학 및 산업
응용 분야
용도2',7-Bis-O-(Triethylsilyl) 10-Desacetyl Paclitaxel is an antineoplastic. Used in the study of structure and function of microtubles into tubulin. Paclitaxel is now used to treat patients with lung, ovarian, breast cancer, head and neck cancer, and advanced forms of Kaposi's sarcoma.
공급사10 곳
台州南峰药物研究所[email protected] 13127117265 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
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