2,3-dihydroxypropanal

• ChemBase ID: 102471
• Molecular Formular: C3H6O3
• Molecular Mass: 90.07794
• Monoisotopic Mass: 90.03169405
• SMILES: OCC(O)C=O
• Canonical SMILES: OC(C=O)CO
• InChI: InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2
• InChIKey: MNQZXJOMYWMBOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydroxypropanal
• IUPAC Traditional name: glyceraldehyde; (+/-)-glyceraldehyde
• Synonyms: Glyceric aldehyde; DL-GLYCERALDEHYDE; Glyceraldehyde; Glyceraldehyde; DL-Glyceraldehyde

Database IDs

• CAS Number: 56-82-6
• EC Number: 200-290-0
• MDL Number: MFCD00064379
• PubChem SID: 162088110; 24895192
• PubChem CID: 751
• CHEBI ID: 5445
• CHEMBL: 173813
• Chemspider ID: 731
• Wikipedia Title: Glyceraldehyde

CALCULATED PROPERTIES

• Acid pKa: 12.8040695
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6773558
• LogD (pH = 7.4): -1.6773574
• Log P: -1.6773558
• Molar Refractivity: 19.4581 cm^3
• Polarizability: 7.7056212 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144-145°C; 145°C
• Boiling Point: 140-150 °C at 0.8 mmHg
• Density: 1.455 g/cm3

Safety Information

• Storage Condition: 2-8°C
• RTECS: MA6475000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥90% (GC)
• Empirical Formula (Hill Notation): C3H6O3

DETAILS

MP Biomedicals - 02101817

Crystalline

MP Biomedicals - 05202860

MP Biomedicals Rare Chemical collection

Sigma Aldrich - G5001

Other Notes
DL-Glyceraldehyde is a substrate for the enzyme aldose reductase. 1