基本情報
- CAS
34698-88-9- 標準SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C- InChIKey
WWWXDCNRNMZGEN-UPOWUTDQSA-N- 分子式
- C28H50O10
- 平均分子量
- 546.7 g/mol
- 単同位体質量
- 546.34039779
概要
3-O-alpha-mycarosylerythronolide B is an erythronolide.
名称と識別子
- 優先名称
- 3-alpha-Mycarosylerythronolide B
- IUPAC
- (3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
名称と別名
3-O-alpha-mycarosylerythronolide B3-alpha-L-Mycarosylerythronolide B3-alpha-mycarosylerythronolide BCHEBI:28343(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione34698-88-9DTXSID401309491(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dioneRefChem:935630DTXCID001739367CHEMBL4468390
名称をさらに表示
3-O-alpha-L-mycarosylerythronolide B3-O-Mycarosylerythronolide B4-(4,5-Dihydroxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dioneNSC-209870Erythromycin Impurity 55SCHEMBL30463358alpha-L-mycarosyl erythronolide BBDBM50535051
物性
構造計算による物性
- XLogP
- 1.9
- 極性表面積
- 163 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 10
- 回転可能結合数
- 3
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 821
関連反応
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