基本情報
- CAS
107216-09-1- 標準SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=NOC)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
BZXVFUGKJGEBBE-HIKKGGSBSA-N- 分子式
- C39H72N2O13
- 平均分子量
- 777 g/mol
- 単同位体質量
- 776.50344036
名称と識別子
- 優先名称
- (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-10-methoxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
- IUPAC
- (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-10-methoxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
- 英語名
- Clarithromycin Impurity EP G
- 分子式
- C39H72N2O13
- 分子量
- 777
名称と別名
Clarithromycin (9Z)-O-Methyloxime127252-80-6Clarithromycin Impurity EP GErythromycin, 6-O-methyl-, 9-(O-methyloxime) (9CI)Clarithromycin Impurity G (Mixture of Z and E Isomers)Clarithromycin EP Impurity G (Mixture of Z and E Isomers)Clarithromycin EP Impurity G (Mixture of Z and E Isomers)/(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,E)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-12,13-dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-(((2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-12,13-dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-7-methoxy-10-(methoxyimino)-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-(((2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-12,13-dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-7-methoxy-10-(methoxyimino)-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one (Clarithromycin Impurity)
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 187 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 15
- 回転可能結合数
- 9
- 重原子数
- 54
- 形式電荷
- 0
- 複雑度
- 1,240
物理化学的性質
- 沸点
- 812.6 · 812.6±75.0 °C(Predicted)
- 比重(密度)
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 13.18 · 13.18±0.70(Predicted)
化学と産業
サプライヤー15 社
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