基本信息
- 标准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
概述
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-).
名称与标识
- 首选名称
- D-glucopyranose 1-phosphate
- IUPAC
- [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
名称与别名
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
展开更多名称
Q27098367(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen phosphate
数据库标识
- PubChem CID
- 439165
- ChEBI
CHEBI:16077- Nikkaji
- J375.972E
性质
结构计算性质
- XLogP
- -3.8
- 极性表面积
- 157 Ų
- 氢键供体
- 6
- 氢键受体
- 9
- 可旋转键
- 3
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 277
实验与物化性质
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)]
相关反应
6 条
关联笔记
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