3-[7,8-bis(acetyloxy)-2-oxo-2H-chromen-4-yl]-2-oxo-2H-chromen-7-yl acetate

• ChemBase ID: 202572
• Molecular Formular: C24H16O10
• Molecular Mass: 464.37784
• Monoisotopic Mass: 464.07434671
• SMILES: c1(c2c(=O)oc3c(c2)ccc(c3)OC(=O)C)c2c(c(c(OC(=O)C)cc2)OC(=O)C)oc(=O)c1
• Canonical SMILES: CC(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2OC(=O)C)OC(=O)C
• InChI: InChI=1S/C24H16O10/c1-11(25)30-15-5-4-14-8-18(24(29)33-20(14)9-15)17-10-21(28)34-22-16(17)6-7-19(31-12(2)26)23(22)32-13(3)27/h4-10H,1-3H3
• InChIKey: DWOQYRABQMVGKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[7,8-bis(acetyloxy)-2-oxo-2H-chromen-4-yl]-2-oxo-2H-chromen-7-yl acetate
• IUPAC Traditional name: 3-[7,8-bis(acetyloxy)-2-oxochromen-4-yl]-2-oxochromen-7-yl acetate

Database IDs

• PubChem SID: 164258482
• PubChem CID: 1764231

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.730584
• LogD (pH = 7.4): 1.730584
• Log P: 1.730584
• Molar Refractivity: 114.1293 cm^3
• Polarizability: 44.100647 Å^3
• Polar Surface Area: 131.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds