dilithium(1+) ion 1-hydroxy-3-(phosphonatooxy)propan-2-one

• ChemBase编号: 133333
• 分子式: C3H5Li2O6P
• 平均质量: 181.923961
• 单一同位素质量: 182.01438361
• SMILES: [Li+].[Li+].C(C(=O)COP(=O)([O-])[O-])O
• Canonical SMILES: OCC(=O)COP(=O)([O-])[O-].[Li+].[Li+]
• InChI: InChI=1S/C3H7O6P.2Li/c4-1-3(5)2-9-10(6,7)8;;/h4H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2
• InChIKey: QWIKESRFRWLYIA-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: dilithium(1+) ion 1-hydroxy-3-(phosphonatooxy)propan-2-one
• IUPAC传统名: dilithium(1+) ion dihydroxyacetone phosphate
• 别名: 1,3-Dihydroxy-2-propanone 1-phosphate dilithium salt; 1-Hydroxy-3-(phosphonooxy)-2-propanone dilithium salt; DHAP; Dihydroxyacetone phosphate dilithium salt; Dihydroxyacetone phosphate lithium salt

登记号

• CAS号: 102783-56-2
• MDL号: MFCD00077731
• Beilstein号: 1708891
• PubChem SID: 24894082; 162227610
• PubChem CID: 16219272

理论计算性质

• Acid pKa: 1.1902796
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -4.098508
• LogD (pH = 7.4): -5.2087917
• Log P: -1.6517823
• 摩尔折射率: 28.2287 cm^3
• 极化性: 12.113257 Å^3
• 极化表面积: 109.72 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble10 mg/mL, clear, faintly yellow

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ~95% (enzymatic); ≥93% (enzymatic); ≥95.0% (TLC)
• 杂质: ~0.2 mol % D-glyceraldehyde 3-phosphate; ≤0.2% D-glyceraldehyde-3-phosphate; ≤2% solvent
• 痕量阴离子: phosphate (PO43-): ~5 mol %
• Empirical Formula (Hill Notation): C3H5Li2O6P; C3H7O6P · xLi+

详细说明

Sigma Aldrich - D7137

Caution
Unlike the dimethyl ketal, does not require hydrolysis prior to use as a substrate.
包装
10 mg in autosmp vl
Preparation Note
Enzymatically prepared.
Application
Dihydroxyacetone phosphate (DHAP) is used in studies on the effects of fructose metabolism and processes such as glycation on health. DHAP is used in studies involving the metabolism of three-carbon sugar pools and their roles in physiological and physical processes.
Biochem/physiol Actions
Dihydroxyacetone phosphate (DHAP) is a metabolic intermediate involved in many pathways, including glycolysis, gluconeogenesis, glycerol metabolism, phosphatidic acid synthesis, fat metabolism, and the Calvin cycle.

Sigma Aldrich - 37442

Analysis Note
may contain up to 2-mol-equivalents water

Sigma Aldrich - 37440

Other Notes
Substrate for the assay of triosephosphate isomerase1
Biochem/physiol Actions
Dihydroxyacetone phosphate (DHAP) is a metabolic intermediate involved in many pathways, including glycolysis, gluconeogenesis, glycerol metabolism, phosphatidic acid synthesis, fat metabolism, and the Calvin cycle.