oxolane-2,3,4,5-tetracarboxylic acid

• ChemBase ID: 287512
• Molecular Formular: C8H8O9
• Molecular Mass: 248.14372
• Monoisotopic Mass: 248.01683184
• SMILES: O=C(C1OC(C(=O)O)C(C(=O)O)C1C(=O)O)O
• Canonical SMILES: OC(=O)C1OC(C(C1C(=O)O)C(=O)O)C(=O)O
• InChI: InChI=1S/C8H8O9/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
• InChIKey: UFOIOXZLTXNHQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane-2,3,4,5-tetracarboxylic acid
• IUPAC Traditional name: oxolane-2,3,4,5-tetracarboxylic acid
• Synonyms: Tetrahydrofuran-2,3,4,5-tetracarboxylic acid

Database IDs

• CAS Number: 26106-63-8
• MDL Number: MFCD00005364
• PubChem SID: 180673043
• PubChem CID: 97421

CALCULATED PROPERTIES

• Acid pKa: 2.7402244
• H Acceptors: 9
• H Donor: 4
• LogD (pH = 5.5): -7.0053096
• LogD (pH = 7.4): -12.7281275
• Log P: -1.3324699
• Molar Refractivity: 44.3851 cm^3
• Polarizability: 18.23174 Å^3
• Polar Surface Area: 158.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%