基本情報
- CAS
99634-12-5- 標準SMILES
CC1(CO)COC(=O)C(C)(C2(C)NC(C)(CO)COC2=O)N1- InChIKey
JYSKYMRUHJCDCE-UHFFFAOYSA-N- 分子式
- C14H24N2O6
- 平均分子量
- 316.35 g/mol
- 単同位体質量
- 316.16343649
概要
radical dimer which reacts with adriamyin to produce aglycone; structure given in first source
名称と識別子
- 優先名称
- Bis(3,5-dimethyl-5-hydroxymethyl-2-oxomorpholin-3-yl)
- IUPAC
- 5-(hydroxymethyl)-3-[5-(hydroxymethyl)-3,5-dimethyl-2-oxomorpholin-3-yl]-3,5-dimethylmorpholin-2-one
- 英語名
- bis(3,5-dimethyl-5-hydroxymethyl-2-oxomorpholin-3-yl)
- 分子式
- C14H24N2O6
- 分子量
- 316.35
名称と別名
DHM399634-12-5Bis(3,5-dimethyl-5-hydroxymethyl-2-oxomorpholin-3-yl)RefChem:120111(3,3'-Bimorpholine)-2,2'-dione, 5,5'-bis(hydroxymethyl)-3,3',5,5'-tetramethyl-NSC372109SCHEMBL10836554DTXSID00912578JYSKYMRUHJCDCE-UHFFFAOYSA-NNSC-372109[3,2'-dione, 5,5'-bis(hydroxymethyl)- 3,3',5,5'-tetramethyl-{[3,3'-Bimorpholine]-2,2'-dione,} 5,5'-bis(hydroxymethyl)- 3,3',5, 5'-tetramethyl-
名称をさらに表示
5,5'-bis(hydroxymethyl)-3,3',5,5'-tetramethyl-3,3'-bimorpholine-2,2'-dione[3,3'-Bimorpholine]-2,2'-dione, 5,5'-bis(hydroxymethyl)-3,3',5,5'-tetramethyl-
5,5'-Bis(hydroxymethyl)-3,3',5,5'-tetramethyl[3,3'-bimorpholine]-2,2'-dione5-(hydroxymethyl)-3-[5-(hydroxymethyl)-3,5-dimethyl-2-oxo-morpholin-3-yl]-3,5-dimethyl-morpholin-2-one
データベース識別子
- CAS
99634-12-5
物性
構造計算による物性
- XLogP
- -1.7
- 極性表面積
- 117 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 8
- 回転可能結合数
- 3
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 456
関連反応
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