4,5-bis(acetyloxy)-2-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-6-methyloxan-3-yl acetate

• ChemBase ID: 183518
• Molecular Formular: C25H27NO11
• Molecular Mass: 517.48198
• Monoisotopic Mass: 517.15841069
• SMILES: C1(C(C(C(OC1Oc1c(c2nc3c(c(c2cc1)OC)cco3)OC)C)OC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: COc1c(ccc2c1nc1occc1c2OC)OC1OC(C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C25H27NO11/c1-11-19(34-12(2)27)22(35-13(3)28)23(36-14(4)29)25(33-11)37-17-8-7-15-18(21(17)31-6)26-24-16(9-10-32-24)20(15)30-5/h7-11,19,22-23,25H,1-6H3
• InChIKey: VEPUODFCYPKQKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-bis(acetyloxy)-2-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-6-methyloxan-3-yl acetate
• IUPAC Traditional name: 4,5-bis(acetyloxy)-2-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-6-methyloxan-3-yl acetate

Database IDs

• PubChem SID: 164239428
• PubChem CID: 3776116

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 2.140738
• LogD (pH = 7.4): 2.1407955
• Log P: 2.1407962
• Molar Refractivity: 121.7355 cm^3
• Polarizability: 50.86477 Å^3
• Polar Surface Area: 141.85 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds