基本情報
- 標準SMILES
CC1(C)OCC(C2OC(=O)C3OC(C)(C)OC32)O1- InChIKey
OFZPAXSEAVOAKB-UHFFFAOYSA-N- 分子式
- C12H18O6
- 平均分子量
- 258.27 g/mol
名称と識別子
- 優先名称
- 2,3:5,6-Di-O-isopropylidene-L-gulonolactone
- IUPAC
- 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
名称と別名
2,3:5,6-Di-O-isopropylidene-L-gulonolactone(3aS,6R,6aS)-6-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-oneTimTec1_0065162,3:5,6-Di-O-isopropylidene-D-mannonic acid-1,4-lactoneSCHEMBL20056397HMS1552I04(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-oneSTK774392AKOS0056177816-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one6-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-dihydrofuro[3,4-d][1,3]dioxol-4-one6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-one
名称をさらに表示
6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one (non-preferred name)
データベース識別子
- PubChem CID
- 568288
物性
構造計算による物性
- XLogP
- 0.5
- 極性表面積
- 63.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 1
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 377
関連反応
4 件
関連ノート
読み込み中…