基本情報
- 標準SMILES
O=P(O)(O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
HXXFSFRBOHSIMQ-GASJEMHNSA-N- 分子式
- C6H13O9P
- 平均分子量
- 260.14 g/mol
概要
D-glucopyranose 1-phosphate is a D-glucose monophosphate in which the phosphate group is located at position 1. It has a role as a fundamental metabolite. It is functionally related to a D-glucose and a D-glucopyranose. It is a conjugate acid of a D-glucopyranose 1-phosphate(2-).
名称と識別子
- 優先名称
- D-glucopyranose 1-phosphate
- IUPAC
- [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
名称と別名
D-glucopyranose 1-phosphateGLC-1-P1-O-phosphono-D-glucopyranoseCHEBI:16077D-glucopyranose 1-(dihydrogen phosphate)RefChem:130590glucose 1-phosphate[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphatea-D-Galactose 1-phosphateglucopyranose 1-phosphateSCHEMBL104855{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid
名称をさらに表示
Q27098367(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen phosphate
データベース識別子
- PubChem CID
- 439165
- ChEBI
CHEBI:16077- Nikkaji
- J375.972E
物性
構造計算による物性
- XLogP
- -3.8
- 極性表面積
- 157 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 9
- 回転可能結合数
- 3
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 277
実験および物理化学的性質
Collision Cross Section
158.3 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
157.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
関連反応
6 件
関連ノート
読み込み中…