基本情報
- CAS
1152439-73-0- 標準SMILES
CC1(C)OC(=O)C(C(=O)Cc2cc(F)c(F)cc2F)C(=O)O1- InChIKey
QQLYZNCMELOPFL-UHFFFAOYSA-N- 分子式
- C14H11F3O5
- 平均分子量
- 316.23 g/mol
- 単同位体質量
- 316.05585793
名称と識別子
- 優先名称
- 2,2-Dimethyl-5-[2-(2,4,5-trifluoro-phenyl)-acetyl]-[1,3]dioxane-4,6-dione
- IUPAC
- 2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione
- 英語名
- 2,2-DiMethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione
- 分子式
- C14H11F3O5
- 分子量
- 316.23
名称と別名
1152439-73-0Sitagliptin Impurity 312,2-dimethyl-5-[2-(2,4,5-trifluoro-phenyl)-acetyl]-[1,3]dioxane-4,6-dione2,2-DIMETHYL-5-(2-(2,4,5-TRIFLUOROPHENYL)ACETYL)-1,3-DIOXANE-4,6-DIONEJF5Z8G7R4S2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dioneMFCD145256821,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(2-(2,4,5-trifluorophenyl)acetyl)-1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-Dioxane-4,6-dione, 5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-Dioxane-4,6-dione, 5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-2,2-Dimethyl-5-((1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-1,3-dioxane-4,6-dione
名称をさらに表示
2,2-Dimethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4...2,2-DiMethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione
2,2-Dimethyl-5-[[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-1,3-dioxane-4,6-dioneUNII-JF5Z8G7R4SSCHEMBL411648QQLYZNCMELOPFL-UHFFFAOYSA-N2,2-Dimethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxan-4,6-dione2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)-acetyl]-[1,3]dioxane-4,6-dione5-[2-(2,4,5-trifluorophenyl)-acetyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
データベース識別子
- CAS
1152439-73-0- PubChem CID
- 49784075
- UNII
- JF5Z8G7R4S
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 69.7 Ų
- 水素結合供与体数
- 0
- 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
- 473
物理化学的性質
- 沸点
- 490.2 · 490.2±45.0 °C(Predicted)
- 比重(密度)
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 8.4 · 8.40±0.40(Predicted)
化学と産業
上流・下流製品情報
下流製品
サプライヤー8 社
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
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北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东博洛达生物科技有限公司0531-68659041 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
関連反応
8 件
化合物ノート
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