기본 정보
- CAS
280578-49-6- 표준 SMILES
C/C(=C\c1csc(CN)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1- InChIKey
PFJFPBDHCFMQPN-RGJAOAFDSA-N- 분자식
- C27H42N2O6S
- 평균 분자량
- 522.7 g/mol
이름 및 식별자
- 우선 이름
- 21-Aminoepothilone B
- IUPAC
- (1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
- 영어명
- (1S,3S,7S,10R,11S,12S,16R)-3-[(1E)-2-[2-(Aminomethyl)-4-thiazolyl]-1-methylethenyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
- 분자식
- C27H42N2O6S
- 분자량
- 522.7
이름 및 동의어
21-Aminoepothilone B280578-49-6BMS-310705UNII-J3SLJ7D1EHJ3SLJ7D1EH21-AMINOEPOTHILONE B [WHO-DD]4,17-Dioxabicyclo(14.1.0)heptadecane-5,9-dione, 3-((1E)-2-(2-(aminomethyl)-4-thiazolyl)-1-methylethenyl)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-, (1S,3S,7S,10R,11S,12S,16R)-RefChem:89623(1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dioneBMS 310705(1S,3S,7S,10R,11S,12S,16R)-3-[(1E)-2-[2-(Aminomethyl)-4-thiazolyl]-1-methylethenyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione21-amino epothilone B
이름 더 보기
(21-aMiNAepothilone B)21-AMinoepothilone B USP/EP/BP(1S,3S,7S,10R,11S,12S,16R)-3-[(1E)-2-[2-(Aminomethyl)-4-thiazolyl]-1-(1S,3S,7S,10R,11S,12S,16R)-3-[(1E)-2-[2-(Aminomethyl)-4-thiazolyl]-1-methylethenyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione USP/EP/BP
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 164 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 835
물리화학적 성질
- 끓는 점
- 703.1 · 703.1±60.0 °C(Predicted)
- 밀도
- 1.16 · 1.160
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 13.57 · 13.57±0.70(Predicted)
- 색상
- Off-white to light yellow
화학 및 산업
공급사13 곳
天津尚德药缘科技有限公司13132578992 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
湖南瑞威尔生物科技有限公司19359985961 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
威尔曼医药集团有限公司15807197853 18971451745 · [email protected]
上海桤源科技有限公司13818304948 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
重庆卡兰医药有限公司[email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
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