SODIUM 1-HYDROXY-3-(PHOSPHONOOXY)PROPAN-2-OLATE
Glyceryl 1-phosphate
基本情報
- CAS
17603-42-8- 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
- 現地名
- SODIUM 1-HYDROXY-3-(PHOSPHONOOXY)PROPAN-2-OLATE
- 英語名
- Sodium 3-phosphoglycerate
- 分子式
- C3H10NaO6P
- 分子量
- 196.07
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
SODIUM 1-HYDROXY-3-(PHOSPHONOOXY)PROPAN-2-OLATE1,2,3-プロパントリオール1-ホスファート/ナトリウムSodium GlycerophophateSODIUM-A-GLYCEROPHOSPHATEsodium 3-phosphoglycerateSodium α-glycerophosphatesodium dl-glycerophosphatexSodium 3-Phosphoglyceratealpha-natriumglycerophosphatSODIUM ALPHA-GLYCEROPHOSPHATESodium α-glycerophosphate(1:X)hydratedSodiumglycerophosphate
D,L-alpha-glycerol-phosphateRefChem:1085932Glycerophosphoric acid57-03-42,3-dihydroxypropyl dihydrogen phosphate1-Glycerophosphoric acidalpha-glycerophosphoric acidalpha-Phosphoglycerol
物性
構造計算による物性
- XLogP
- -2.9
- 極性表面積
- 107 Ų
- 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
124.86 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
137.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
物理化学的性質
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Methanol (Slightly), Water (Slightly, Sonicated)
- 外見
- Solid
- 色
- White to Off-White
- 化粧品成分の機能
- 口腔ケア抗プラーク
- InChI
- InChI=1S/C3H9O6P.Na.H/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;
- InChIKey
- RSABDVRRIDZAEA-UHFFFAOYSA-N
- SMILES
- C(OP(O)(O)=O)C(O)CO.[NaH]
- CAS データベース
- 17603 · 17603-42-8(CAS DataBase Reference)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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
安全データ
- wgk
- WGK 3
- tsca
- TSCA listed
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
Uses
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
1,2,3-Propanetriol, 1-(dihydrogen phosphate): ACTIVE
1,2,3-Propanetriol, 1-(dihydrogen phosphate), sodium salt (1:?): ACTIVE
応用分野
使用Sodium 3-phosphoglycerate can be used as a nutritional medicine. It is an intravenous phosphorus supplement to meet the body's daily phosphorus needs.
補足説明
定義本品は、α体及びβ体のグリセロリン酸のナトリウム塩であり、次の化学式で表される。
関連反応
7 件
化合物ノート
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