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

• ChemBase ID: 127499
• Molecular Formular: C8H4O9
• Molecular Mass: 244.11196
• Monoisotopic Mass: 243.98553171
• SMILES: c1(c(oc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O
• Canonical SMILES: OC(=O)c1oc(c(c1C(=O)O)C(=O)O)C(=O)O
• InChI: InChI=1S/C8H4O9/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h(H,9,10)(H,11,12)(H,13,14)(H,15,16)
• InChIKey: IREPGQRTQFRMQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2,3,4,5-tetracarboxylic acid
• IUPAC Traditional name: furantetracarboxylic acid
• Synonyms: Furantetracarboxylic acid

Database IDs

• CAS Number: 20416-04-0
• PubChem SID: 162221818
• PubChem CID: 237617
• Wikipedia Title: Furantetracarboxylic_acid

CALCULATED PROPERTIES

• Acid pKa: 3.032234
• H Acceptors: 8
• H Donor: 4
• LogD (pH = 5.5): -4.858088
• LogD (pH = 7.4): -9.537257
• Log P: -0.4161748
• Molar Refractivity: 47.3512 cm^3
• Polarizability: 17.331112 Å^3
• Polar Surface Area: 162.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true