D-glucopyranose 1-phosphate

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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補完中

XLogP: -3.8
極性表面積: 157 Å²
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 · 2 件

158.3 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

157.5 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

化合物ノート

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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