基本情報
- CAS
101652-10-2- 標準SMILES
Cc1cc2c(cc1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)CO)C1=NC(=O)NC(=O)C1N2- InChIKey
UTKDOUCGQVLJIN-QNMSZWNNSA-N- 分子式
- C17H22N4O6
- 平均分子量
- 378.4 g/mol
- 単同位体質量
- 378.15393443
概要
5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl)-d-ribitol is an organic molecular entity.
名称と識別子
- 優先名称
- 1-Deoxy-1-(4-hydroxy-7,8-dimethyl-2-oxo-4a,5-dihydrobenzo(g)pteridin-10(2H)-yl)pentitol
- IUPAC
- 7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]-4a,5-dihydrobenzo[g]pteridine-2,4-dione
名称と別名
DTXSID409064561-Deoxy-1-(4-hydroxy-7,8-dimethyl-2-oxo-4a,5-dihydrobenzo(g)pteridin-10(2H)-yl)pentitol1-Deoxy-1-(4-hydroxy-7,8-dimethyl-2-oxo-4a,5-dihydrobenzo[g]pteridin-10(2H)-yl)pentitolRefChem:1055341DTXCID901335554RIBOFLAVINE, 4a,5-DIHYDRO-7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]-4a,5-dihydrobenzo[g]pteridine-2,4-dioneIsoalloxazine, 4a,5-dihydro-7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-CHEBI:2305535-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl)-d-ribitolNS001257985-Deoxy-5-(4-hydroxy-7,8-dimethyl-2-oxo-4a,5-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol
データベース識別子
- CAS
101652-10-2- PubChem CID
- 58683
- DTXSID
DTXSID40906456- ChEBI
CHEBI:230553
物性
構造計算による物性
- XLogP
- -1.3
- 極性表面積
- 155 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 7
- 回転可能結合数
- 5
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 629
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…