HRID 1812483触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
基本情報
- 標準SMILES
O.O.O.O.O.O.[Cl][Ru][Cl].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1- InChIKey
WHELTKFSBJNBMQ-UHFFFAOYSA-L- 分子式
- C30H36Cl2N6O6Ru
- 平均分子量
- 748.6 g/mol
- 単同位体質量
- 748.111679
名称と識別子
- 優先名称
- Tris(2,2-bipyridyl)ruthenium(II) chloride hexahydrate
- IUPAC
- dichlororuthenium;tris(2-pyridin-2-ylpyridine);hexahydrate
名称と別名
Tris(2,2-bipyridyl)ruthenium(II) chloride hexahydrateMFCD00149670Tris(2,2 inverted exclamation marka-bipyridine)dichlororuthenium(II) hexahydrateSCHEMBL72119SY010221Tris(2,2-bipyridyl)ruthenium(II)chloridehexahydrateTris(2,2-bipyridine)dichlororuthenium(II) Hexahydrate[Ru(bpy)?][Cl]? inverted exclamation mark currency6H?OTris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate, powderTris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate, 99.95% trace metals basis
データベース識別子
- PubChem CID
- 16211607
物性
構造計算による物性
- 極性表面積
- 83.3 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 12
- 回転可能結合数
- 3
- 重原子数
- 45
- 形式電荷
- 0
- 複雑度
- 123
関連反応
110 件
HRID 1812484触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812485触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812486触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812487触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812488触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812489触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812490触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
化合物ノート
読み込み中…