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기본 정보
- CAS
88899-54-1- 표준 SMILES
CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O- InChIKey
QITFETZTNYARLF-QANPHIHVSA-N- 분자식
- C36H60O9
- 평균 분자량
- 636.867 g/mol
- 단동위원소 질량
- 636.4237335
이름 및 식별자
- 우선 이름
- Bafilomycin A2
- IUPAC
- Methyl (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranoside
- 영어명
- 19-O-Methyl-21-O-de(3-carboxy-1-oxo-2-propenyl)-2-demethyl-2-methoxy-24-methylhygrolidin
- 분자식
- C36H60O9
- 분자량
- 636.86
이름 및 동의어
Bafilomycin A221-O-De(3-carboxy-1-oxo-2-propenyl)-2-demethyl-2-methoxy-24-methyl-19-O-methylhygrolidin19-O-Methyl-21-O-de(3-carboxy-1-oxo-2-propenyl)-2-demethyl-2-methoxy-24-methylhygrolidinOxacyclohexadeca-3,5,11,13-tetraen-2-one, 8-hydroxy-16-[(1S,2R,3S)-2-hydroxy-1-methyl-3-[(2R,4R,5S,6R)tetrahydro-4-hydroxy-2-methoxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl]butyl]-3,15-dimethoxy-5,7,9,11-tetramethyl-, (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-
데이터베이스 식별자
- CAS
88899-54-1- PubChem CID
- 10416655
- DTXSID
DTXSID701017700- ChEMBL
CHEMBL299049
물성
물리화학적 성질
- 끓는 점
- 756 · 756.0±60.0 °C(Predicted)
- 밀도
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.17 · 14.17±0.70(Predicted)
관련 반응
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