기본 정보
- CAS
146478-74-2- 표준 SMILES
CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@](C)(O)C[C@@](O)(CCl)[C@@H]2O)O[C@@H]1C- InChIKey
RONUKPQOBQKEHX-QHYZBLTGSA-N- 분자식
- C27H42ClNO8
- 평균 분자량
- 544.1 g/mol
- 단동위원소 질량
- 543.259895
개요
[(Z,2S)-4-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(chloromethyl)-3,4,6-trihydroxy-6-methyloxan-2-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]carbamoyl]but-3-en-2-yl] acetate has been reported in Pseudomonas with data available.
이름 및 식별자
- 우선 이름
- (2Z,4S)-4-(Acetyloxy)-N-((2R,3R,5S,6S)-6-((2E,4E)-5-((2R,3R,4S,6S)-4-(chloromethyl)tetrahydro-3,4,6-trihydroxy-6-methyl-2H-pyran-2-yl)-3-methyl-2,4-pentadien-1-yl)tetrahydro-2,5-dimethyl-2H-pyran-3-yl)-2-pentenamide
- IUPAC
- [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(chloromethyl)-3,4,6-trihydroxy-6-methyloxan-2-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate
- 영어명
- FR901463
- 분자식
- C27H42ClNO8
- 분자량
- 544.08
이름 및 동의어
146478-74-2DTXSID201098220(2Z,4S)-4-(Acetyloxy)-N-((2R,3R,5S,6S)-6-((2E,4E)-5-((2R,3R,4S,6S)-4-(chloromethyl)tetrahydro-3,4,6-trihydroxy-6-methyl-2H-pyran-2-yl)-3-methyl-2,4-pentadien-1-yl)tetrahydro-2,5-dimethyl-2H-pyran-3-yl)-2-pentenamide(2Z,4S)-4-(Acetyloxy)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(chloromethyl)tetrahydro-3,4,6-trihydroxy-6-methyl-2H-pyran-2-yl]-3-methyl-2,4-pentadien-1-yl]tetrahydro-2,5-dimethyl-2H-pyran-3-yl]-2-pentenamideRefChem:1050040DTXCID201529964WB 2663A[(Z,2S)-4-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(chloromethyl)-3,4,6-trihydroxy-6-methyloxan-2-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]carbamoyl]but-3-en-2-yl] acetate[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(chloromethyl)-3,4,6-trihydroxy-6-methyloxan-2-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate2-Pentenamide, 4-(acetyloxy)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(chloromethyl)tetrahydro-3,4,6-trihydroxy-6-methyl-2H-pyran-2-yl]-3-methyl-2,4-pentadien-1-yl]tetrahydro-2,5-dimethyl-2H-pyran-3-yl]-, (2Z,4S)-
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 892
물리화학적 성질
- 끓는 점
- 715.397 · 715.397±60.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.235 · 1.235±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 12.466 · 12.466±0.70(predicted)
화학 및 산업
공급사13 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]
威尔曼医药集团有限公司15807197853 18971451745 · [email protected]
长沙福臻生物科技有限公司15111215862 18229892877 · [email protected]
Shanghai Minbiotech Co., Ltd.+8617315815539 · [email protected]
铭龙（咸宁）医药有限公司186-7296-9259 18771307593 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
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