beta-Glycerophosphate

HCID 2526CAS 17181-54-3

基本情報

標準SMILES: O=P(O)(O)OC(CO)CO
InChIKey: DHCLVCXQIBBOPH-UHFFFAOYSA-N
分子式: C3H9O6P
平均分子量: 172.07 g/mol
単同位体質量: 172.01367464

概要

Glycerol 2-phosphate is a glycerol monophosphate having the phosphate group at the 2-position. It has a role as a plant metabolite and an Escherichia coli metabolite. It is a conjugate acid of a glycerol 2-phosphate(2-).

名称と識別子

優先名称: beta-Glycerophosphate
IUPAC: 1,3-dihydroxypropan-2-yl dihydrogen phosphate

名称と別名

17181-54-3beta-glycerophosphateGlycerol 2-phosphate1,2,3-Propanetriol, 2-(dihydrogen phosphate)2-glycerophosphateglyceryl 2-phosphateWWH06G87W6CHEBI:17270RefChem:663451GlyTouCan:G44384WFG44384WFbeta-Glycerophosphoric acid

名称をさらに表示

GLYCEROL-2-PHOSPHATE1,3-dihydroxypropan-2-yl dihydrogen phosphate[(1,3-dihydroxypropan-2-yl)oxy]phosphonic acidGlycerophosphoric acid II1,3-Hydroxy-2-propyl dihydrogen phosphate2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE2-glycerophosphoric acidEINECS 241-228-2

データベース識別子

CAS: 17181-54-3
PubChem CID: 2526
DTXSID: DTXSID1023106
ChEMBL: CHEMBL1232903
ChEBI: CHEBI:17270
UNII: WWH06G87W6
EC Number: 241-228-2
Nikkaji: J135.242C

物性

構造計算による物性

XLogP: -2.9
極性表面積: 107 Å²
水素結合供与体数: 4
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 10
形式電荷: 0
複雑度: 125

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionSolid

Collision Cross Section · 2 件

147.2 Å² [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

126.5 Å² [M-H]-

化学と産業

薬理情報

Cellular LocationsCytoplasm