(2-hydroxy-3-oxopropoxy)phosphonic acid

• ChemBase ID: 105942
• Molecular Formular: C3H7O6P
• Molecular Mass: 170.057841
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-hydroxy-3-oxopropoxy)phosphonic acid
• IUPAC Traditional name: glyceraldehyde 3 phosphate
• Synonyms: DL-GLYCERALDEHYDE-3-PHOSPHATE FREE ACID SOLUTION; DL-Glyceraldehyde 3-phosphate solution

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 1.3972512
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -4.217999
• LogD (pH = 7.4): -5.1804247
• Log P: -1.8009218
• Molar Refractivity: 30.331 cm^3
• Polarizability: 12.354009 Å^3
• Polar Surface Area: 104.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C
• European Hazard Symbols: Corrosive (C)
• UN Number: 1760
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: 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
• Storage Temperature: -20°C

Product Information

• Concentration: 45-55 mg/mL in H2O
• Cation Traces: Ba: ≤100 μg/mL
• Shipped in: dry ice

DETAILS

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.