基本情報
- 標準SMILES
CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C- InChIKey
NSYZCCDSJNWWJL-UHFFFAOYSA-N- 分子式
- C43H75NO16
- 平均分子量
- 862.1 g/mol
- 単同位体質量
- 861.5085853
概要
Butanedioic acid O4-[4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-3-oxanyl] ester O1-ethyl ester is an aminoglycoside.
名称と識別子
- 優先名称
- 4-(Dimethylamino)-2-((14-ethyl-7,12,13-trihydroxy-4-((5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-6-yl)oxy)-6-methyloxan-3-yl ethyl butanedioate
- IUPAC
- 4-O-[4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] 1-O-ethyl butanedioate
名称と別名
DTXSID408596154-(Dimethylamino)-2-((14-ethyl-7,12,13-trihydroxy-4-((5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-6-yl)oxy)-6-methyloxan-3-yl ethyl butanedioate4-(Dimethylamino)-2-({14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-6-yl}oxy)-6-methyloxan-3-yl ethyl butanedioateRefChem:935771DTXCID50209243EryPedST075191C43H75NO16NCGC00183038-01CPD001491659Eryped1264-62-6orb321045
名称をさらに表示
CHEMBL4550869CHEBI:94382HMS3259M20HMS5082C06s4060STK177309AKOS005410741NC00597
データベース識別子
- PubChem CID
- 3256
- DTXSID
DTXSID40859615
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 226 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 17
- 回転可能結合数
- 14
- 重原子数
- 60
- 形式電荷
- 0
- 複雑度
- 1,450
関連反応
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