4'-Ethyl-4'-hydroxy-7',8'-dihydrospiro[[1,3]dioxolane-2,6'-pyrano[3,4-f]indolizine]-3',10'(1'H,4'H)-dione
基本情報
- CAS
102978-41-6- 標準SMILES
CCC1(O)C(=O)OCc2c1cc1n(c2=O)CCC12OCCO2- InChIKey
GHFZMAJAVDXFDR-UHFFFAOYSA-N- 分子式
- C15H17NO6
- 平均分子量
- 307.3 g/mol
- 単同位体質量
- 307.10558726
名称と識別子
- 優先名称
- 4'-Ethyl-4'-hydroxy-7',8'-dihydrospiro[[1,3]dioxolane-2,6'-pyrano[3,4-f]indolizine]-3',10'(1'H,4'H)-dione
- IUPAC
- 4'-ethyl-4'-hydroxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-1H-pyrano[3,4-f]indolizine]-3',10'-dione
- 英語名
- Spiro[1,3-dioxolane-2,6'(3'H)-[1H]pyrano[3,4-f]indolizine]-3',10'(4'H)-dione, 4'-ethyl-7',8'-dihydro-4'-hydroxy-
- 分子式
- C15H17NO6
- 分子量
- 307.3
名称と別名
102978-41-64'-Ethyl-4'-hydroxy-7',8'-dihydrospiro[[1,3]dioxolane-2,6'-pyrano[3,4-f]indolizine]-3',10'(1'H,4'H)-dione4'-Ethyl-7',8'-dihydro-4'-hydroxyspiro[1,3-dioxolane-2,6'(3'H)-[1H]pyrano[3,4-f]indolizine]-3',10'(4'H)-dione4-ETHYL-4-HYDROXY-1,4,7,8-TETRAHYDRO-3H,10H-SPIRO[PYRANO[3,4-F]INDOLIZINE-6,2'-[1,3]DIOXOLANE]-3,10-DIONE4'-ethyl-4'-hydroxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-1H-pyrano[3,4-f]indolizine]-3',10'-dioneSpiro[1,3-dioxolane-2,6'(3'H)-[1H]pyrano[3,4-f]indolizine]-3',10'(4'H)-dione, 4'-ethyl-7',8'-dihydro-4'-hydroxy-SCHEMBL9827826DTXSID001109027EX-A12429XNSC629802NSC-629802SY320503
名称をさらに表示
4′-Ethyl-7′,8′-dihydro-4′-hydroxyspiro[1,3-dioxolane-2,6′(3′H)-[1H]pyrano[3,4-f]indolizine]-3′,10′(4′H)-dione
DB-380479CS-0111319E88008F6175381,5'H,6'H-6-oxo)pyrano[3',4'-f]-.delta.6,8-tetrahydroindolizine(DL)-4-Ethyl-6,6-(ethylenedioxy)-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]-indazoline-3,10(4H)-dione4 inverted exclamation mark -Ethyl-4 inverted exclamation mark -hydroxy-7 inverted exclamation mark ,8 inverted exclamation mark -dihydrospiro[[1,3]dioxolane-2,6 inverted exclamation mark -pyrano[3,4-f]indolizine]-3 inverted exclamation mark ,10 inverted exclamation mark (1 inverted exclamation mark H,4 inverted exclamation mark H)-dione4 inverted exclamation marka-Ethyl-7 inverted exclamation marka,8 inverted exclamation marka-dihydro-4 inverted exclamation marka-hydroxyspiro[1,3-dioxolane-2,6 inverted exclamation marka(3 inverted exclamation markaH)-[1H]pyrano[3,4-f]indolizine]-3 inverted exclamation marka,10 inverted exclamation marka(4 inverted exclamation markaH)-dione
データベース識別子
- CAS
102978-41-6- PubChem CID
- 364131
- DTXSID
DTXSID001109027- Nikkaji
- J438.414H
物性
構造計算による物性
- XLogP
- -1.2
- 極性表面積
- 85.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 1
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 630
物理化学的性質
- 融点
- 180 °C · 180 °C
- 沸点
- 655.4 · 655.4±55.0 °C(Predicted)
- 比重(密度)
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 11.66 · 11.66±0.20(Predicted)
関連反応
1 件
化合物ノート
読み込み中…