基本情報
- CAS
6696-47-5- 標準SMILES
CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O.Cl- InChIKey
CWYHZGJSHPPEHY-UOBLTHIJSA-N- 分子式
- C35H62ClNO12
- 平均分子量
- 724.3 g/mol
- 単同位体質量
- 723.3960541
名称と識別子
- 優先名称
- Oleandomycin, hydrochloride
- IUPAC
- (3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione;hydrochloride
名称と別名
Oleandomycin hydrochloride0SEZ96A40Y6696-47-5Oleandomycin, hydrochlorideRefChem:1093862Oleandomycin HClOleandomycin monohydrochlorideUNII-0SEZ96A40YDTXSID10985692OLEANDOMYCIN HYDROCHLORIDE [MI]Oxiraneheptanoic acid, 2-(3,5-dihydroxy-2,4-dimethylhexanoyl)-delta-((4-(dimethylamino)tetrahydro-3-hydroxy-6-methylpyran-2-yl)oxy)-alpha,gamma,epsilon-trimethyl-beta-((tetrahydro-5-hydroxy-4-methoxy-6-methylpyran-2-yl)oxy), mu-lactone, hydrochlorideQ27237195
名称をさらに表示
(3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-Hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadecan-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside--hydrogen chloride (1/1)6-Hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadecan-12-yl 2,6-dideoxy-3-O-methylhexopyranoside--hydrogen chloride (1/1)
データベース識別子
- CAS
6696-47-5
物性
構造計算による物性
- 極性表面積
- 166 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 13
- 回転可能結合数
- 6
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 1,090
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