基本情報
- 標準SMILES
O=C(O)C1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C(O)C1O- InChIKey
HDYANYHVCAPMJV-UHFFFAOYSA-N- 分子式
- C15H22N2O18P2
- 平均分子量
- 580.28 g/mol
- 単同位体質量
- 580.03428512
名称と識別子
- 優先名称
- 6-[[[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- IUPAC
- 6-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
名称と別名
SCHEMBL2787208DTXSID50863001HDYANYHVCAPMJV-UHFFFAOYSA-N6-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidPD022583L001063Glucopyranuronic acid, 1-ester with uridine 5 inverted exclamation marka-pyrophosphate(2R,3R,4R,5S,6R)-6-[[[(2S,3R,4R,5R)-5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid6-((((((5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid6-{[{[{[5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
データベース識別子
- PubChem CID
- 390
- DTXSID
DTXSID50863001
物性
構造計算による物性
- XLogP
- -6.4
- 極性表面積
- 309 Ų
- 水素結合供与体数
- 9
- 水素結合受容体数
- 18
- 回転可能結合数
- 9
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 1,040
関連反応
3 件
関連ノート
読み込み中…