D-glucopyranose 1-phosphate

HCID 439165

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

実験および物理化学的性質

Collision Cross Section · 2 件

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

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