2,3,4,5-tetrahydroxypentanal

• ChemBase ID: 102227
• Molecular Formular: C5H10O5
• Molecular Mass: 150.1299
• Monoisotopic Mass: 150.05282342
• SMILES: OCC(O)C(O)C(O)C=O
• Canonical SMILES: OCC(C(C(C=O)O)O)O
• InChI: InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2
• InChIKey: PYMYPHUHKUWMLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,5-tetrahydroxypentanal
• IUPAC Traditional name: L-(+)-arabinose
• Synonyms: DL-XYLOSE; DL-ARABINOSE

Database IDs

• CAS Number: 41247-05-6; 20235-19-2
• EC Number: 255-277-2; 205-699-8
• PubChem SID: 162088614
• PubChem CID: 854

CALCULATED PROPERTIES

• Acid pKa: 11.871097
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.9380257
• LogD (pH = 7.4): -2.9380403
• Log P: -2.9380257
• Molar Refractivity: 31.3831 cm^3
• Polarizability: 12.73608 Å^3
• Polar Surface Area: 97.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 153°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02103301

Crystalline

MP Biomedicals - 02100700

Crystalline