(2-hydroxy-3-oxopropoxy)phosphonic acid

• ChemBase编号: 105942
• 分子式: C3H7O6P
• 平均质量: 170.057841
• 单一同位素质量: 169.99802457
• SMILES: OC(COP(=O)(O)O)C=O
• Canonical SMILES: O=CC(COP(=O)(O)O)O
• InChI: InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)
• InChIKey: LXJXRIRHZLFYRP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-hydroxy-3-oxopropoxy)phosphonic acid
• IUPAC传统名: glyceraldehyde 3 phosphate
• 别名: DL-GLYCERALDEHYDE-3-PHOSPHATE FREE ACID SOLUTION; DL-Glyceraldehyde 3-phosphate solution

登记号

• CAS号: 591-59-3
• EC号: 209-721-7
• MDL号: MFCD00057581
• PubChem SID: 24895201; 162093869
• PubChem CID: 729

理论计算性质

• Acid pKa: 1.3972512
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -4.217999
• LogD (pH = 7.4): -5.1804247
• Log P: -1.8009218
• 摩尔折射率: 30.331 cm^3
• 极化性: 12.354009 Å^3
• 极化表面积: 104.06 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 1760
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 34
• 安全公开号: 26-27-36/37/39-45
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1760 8/PG 2
• 保存温度: -20°C

产品相关信息

• 浓度: 45-55 mg/mL in H2O
• 痕量阳离子: Ba: ≤100 μg/mL
• 运输包装: dry ice

详细说明

MP Biomedicals - 02195203

Free Acid
Solution of 50 mg/ml

Sigma Aldrich - G5251

Biochem/physiol Actions
Glyceraldehyde 3-phosphate is an intermediate in several metabolic pathways, including glycolysis and gluconeogenesis. It is bactericidal and a potent inhibitor of growth in E. coli.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. G5251.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.