6-(furan-2-carbonyloxy)-hexahydrofuro[3,2-b]furan-3-yl furan-2-carboxylate

• ChemBase ID: 181627
• Molecular Formular: C16H14O8
• Molecular Mass: 334.27756
• Monoisotopic Mass: 334.06886741
• SMILES: C12C(OCC2OC(=O)c2occc2)C(OC(=O)c2occc2)CO1
• Canonical SMILES: O=C(c1ccco1)OC1COC2C1OCC2OC(=O)c1ccco1
• InChI: InChI=1S/C16H14O8/c17-15(9-3-1-5-19-9)23-11-7-21-14-12(8-22-13(11)14)24-16(18)10-4-2-6-20-10/h1-6,11-14H,7-8H2
• InChIKey: BAJKIUQBKWDDJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(furan-2-carbonyloxy)-hexahydrofuro[3,2-b]furan-3-yl furan-2-carboxylate
• IUPAC Traditional name: 6-(furan-2-carbonyloxy)-hexahydrofuro[3,2-b]furan-3-yl furan-2-carboxylate

Database IDs

• PubChem SID: 164237537
• PubChem CID: 3841247

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7044812
• LogD (pH = 7.4): 1.7044812
• Log P: 1.7044812
• Molar Refractivity: 75.8092 cm^3
• Polarizability: 30.064184 Å^3
• Polar Surface Area: 97.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds