Glyceryl 1-phosphate

HCID 754CAS 17603-42-8

基本情報

標準SMILES: O=P(O)(O)OCC(O)CO
InChIKey: AWUCVROLDVIAJX-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 1-phosphate is a glycerol monophosphate having the phosphate group located at position 1. It has a role as a human metabolite and an algal metabolite. It is a conjugate acid of a glycerol 1-phosphate(2-).

名称と識別子

優先名称: Glyceryl 1-phosphate
IUPAC: 2,3-dihydroxypropyl dihydrogen phosphate

名称と別名

3-GlycerophosphateGlycerol 3-phosphateGlycerol 1-phosphate1-GlycerophosphateDL-Glycerol 1-phosphateGlycerol alpha-phosphateDL-Glycerol 3-phosphateglyceryl 1-phosphateCHEBI:14336DL-Glyceryl 1-phosphaterac-Glycerol 1-phosphate9NTI6P3O4X

名称をさらに表示

D,L-alpha-glycerol-phosphateRefChem:1085932Glycerophosphoric acid57-03-42,3-dihydroxypropyl dihydrogen phosphate1-Glycerophosphoric acidalpha-glycerophosphoric acidalpha-Phosphoglycerol

データベース識別子

CAS: 17603-42-8、57-03-4
PubChem CID: 754
DTXSID: DTXSID6023105
ChEMBL: CHEMBL358320
ChEBI: CHEBI:14336
UNII: 9NTI6P3O4X
EC Number: 200-307-1、241-577-0
Nikkaji: J4.450D、J4.452K

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: 129

実験および物理化学的性質

Chemical ClassesOther Classes -> Organic Acids

DrugsPharmaceuticals

Physical DescriptionAbsolute acid: Clear syrupy liquid; [Merck Index]

Collision Cross Section · 2 件

124.86 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

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

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (48 of 48) of all reports.

Not Classified

Aggregated GHS information provided per 48 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Chemical: 1,2,3-Propanetriol, 1-(dihydrogen phosphate)

Chemical: 1,2,3-Propanetriol, 1-(dihydrogen phosphate), sodium salt

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryAbsolute acid is a commercial mixture of the alpha and beta forms; [Merck Index]

Hazard Classes and CategoriesNot Classified

化学と産業

用途と製造

Uses · 2 件

The absolute acid is used to make glycerophosphates and pharmaceuticals (improve taste of glycerophosphates). [Merck Index]

Use (kg; approx.) in Germany (2009): >5000

General Manufacturing Information · 2 件

1,2,3-Propanetriol, 1-(dihydrogen phosphate): ACTIVE

1,2,3-Propanetriol, 1-(dihydrogen phosphate), sodium salt (1:?): ACTIVE