oxolane-3,4-diol

• ChemBase ID: 118970
• Molecular Formular: C4H8O3
• Molecular Mass: 104.10452
• Monoisotopic Mass: 104.04734412
• SMILES: C1(C(O)COC1)O
• Canonical SMILES: OC1COCC1O
• InChI: InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2
• InChIKey: SSYDTHANSGMJTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane-3,4-diol
• IUPAC Traditional name: oxolane-3,4-diol
• Synonyms: tetrahydrofuran-3,4-diol

Database IDs

• PubChem SID: 162107242
• PubChem CID: 90803

CALCULATED PROPERTIES

• Acid pKa: 13.0593405
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3076454
• LogD (pH = 7.4): -1.3076464
• Log P: -1.3076454
• Molar Refractivity: 22.9685 cm^3
• Polarizability: 9.41032 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds