基本情報
- CAS
13917-35-6- 標準SMILES
CCCCCCCCCCCCCC1=C(O)C(=O)C(CC2=C(O)C(=O)C(CCCCCCCCCCCCC)=C(O)C2=O)=C(O)C1=O- InChIKey
UJRBGYWAIIVDNE-UHFFFAOYSA-N- 分子式
- C39H60O8
- 平均分子量
- 656.9 g/mol
- 単同位体質量
- 656.42881887
名称と識別子
- 優先名称
- 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis(3,6-dihydroxy-5-tridecyl-
- IUPAC
- 2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione
名称と別名
13917-35-6MRU4UWP81Z2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis(3,6-dihydroxy-5-tridecyl-NSC88927UNII-MRU4UWP81ZNSC 88927NSC-889272,2'-Methylenebis(3,6-dihydroxy-5-tridecyl-2,5-cyclohexadiene-1,4-dione)2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis[3,6-dihydroxy-5-tridecyl-2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dioneCHEMBL1981599SCHEMBL29911486
名称をさらに表示
DTXSID001609512,2'-Methylenebis(3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione)P-BENZOQUINONE, 2,2'-METHYLENEBIS(3,6-DIHYDROXY-5-TRIDECYL-2-[(2,5-dihydroxy-3,6-dioxo-4-tridecyl-cyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecyl-1,4-benzoquinone
データベース識別子
- CAS
13917-35-6- PubChem CID
- 417291
- DTXSID
DTXSID00160951- ChEMBL
CHEMBL1981599- UNII
- MRU4UWP81Z
物性
構造計算による物性
- XLogP
- 13
- 極性表面積
- 149 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
- 26
- 重原子数
- 47
- 形式電荷
- 0
- 複雑度
- 1,110
関連反応
0 件
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