기본 정보
- CAS
208111-89-1- 표준 SMILES
O=C1C[C@@H]2[C@@H](/C=C/[C@H](O)COc3cccc(Cl)c3)[C@H](OC(=O)c3ccccc3)C[C@@H]2O1- InChIKey
VQUVARNLPCHRRP-AWYUYJLLSA-N- 분자식
- C24H23ClO6
- 평균 분자량
- 442.9 g/mol
- 단동위원소 질량
- 442.1183161
이름 및 식별자
- 우선 이름
- [(3Ar,4R,5R,6aS)-4-[(E,3S)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
- IUPAC
- [(3aR,4R,5R,6aS)-4-[(E,3S)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
- 영어명
- (3aR,4R,5R,6aS)- 5-(benzoyloxy)-4-[(1E,3S)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]hexahydro-2H-Cyclopenta[b]furan-2-one
- 분자식
- C24H23ClO6
- 분자량
- 442.89
이름 및 동의어
208111-89-1[(3Ar,4R,5R,6aS)-4-[(E,3S)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate(3aR,4R,5R,6aS)-4-((S,E)-4-(3-Chlorophenoxy)-3-hydroxybut-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate[3aR,4R(1E,3S),5R,6aS]-5-Benzoyloxy-4-(3-hydroxy-4-phenoxy-1-buten-1-yl)-hexahydro-2H-cyclopenta[b]furan-2-oneSCHEMBL6759645(3aR,4R,5R,6aS)- 5-(benzoyloxy)-4-[(1E,3S)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]hexahydro-2H-Cyclopenta[b]furan-2-one(3aR,4R,5R,6aS)-5-(Benzoyloxy)-4-[(1E,3S)-4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-2H-cyclopenta[b]furan-2-one[3aR,4R(1E,3S),5R,6aS]-5-Benzoyloxy-4-(3-hydroxy-4-phenoxy-1-buten-1-yl)-hexahydro-2H-cyclopenta[b]f(3aR,4R,5R,6aS)-5-(Benzoyloxy)-4-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)-4-[(1E,3S)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]hexahydro-, (3aR,4R,5R,6aS)-
데이터베이스 식별자
- CAS
208111-89-1- PubChem CID
- 12115172
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 82.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 660
물리화학적 성질
- 끓는 점
- 641.4 · 641.4±55.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.32 · 13.32±0.20(Predicted)
화학 및 산업
공급사8 곳
北京穹峰科技有限公司13552142508 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
台州市科德化工有限公司0576-84613060 13093829633;13736603231 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
铭龙（咸宁）医药有限公司186-7296-9259 18771307593 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
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