5-(hydroxymethyl)oxolane-2,3,4-triol

• ChemBase ID: 286759
• Molecular Formular: C5H10O5
• Molecular Mass: 150.1299
• Monoisotopic Mass: 150.05282342
• SMILES: C(C1C(C(O)C(O1)O)O)O
• Canonical SMILES: OCC1OC(C(C1O)O)O
• InChI: InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2
• InChIKey: HMFHBZSHGGEWLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(hydroxymethyl)oxolane-2,3,4-triol
• IUPAC Traditional name: ribose
• Synonyms: (2R,3R,4R)-2,3,4,5-Tetrahydroxypentanal

Database IDs

• CAS Number: 50-69-1
• MDL Number: MFCD00135453
• PubChem SID: 180672290
• PubChem CID: 993

CALCULATED PROPERTIES

• Acid pKa: 11.305696
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.3022048
• LogD (pH = 7.4): -2.3022583
• Log P: -2.3022044
• Molar Refractivity: 29.9609 cm^3
• Polarizability: 12.6405 Å^3
• Polar Surface Area: 90.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%