Molecule

ID:131429

General Information
Structure
MolImage
Molecular Formula
C₂₇H₂₂O₈
Molecular Mass
474.45878
Exact Mass
474.13146766
Charge
0
InChI
InChI=1S/C27H22O8/c28-24(17-10-4-1-5-11-17)33-21-20-16-31-27(32-20)23(35-26(30)19-14-8-3-9-15-19)22(21)34-25(29)18-12-6-2-7-13-18/h1-15,20-23,27H,16H2
InChIKey
PUALUCOESOGESO-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)OC1C(OC(=O)c2ccccc2)C2OCC(C1OC(=O)c1ccccc1)O2
Isomeric Smiles
c1ccc(cc1)C(=O)OC1C2COC(O2)C(C1OC(=O)c1ccccc1)OC(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
5.715064
LogD (pH = 7.4)
5.715064
Log P
5.715064
Molar Refractivity
121.8793
Polarizability
48.272186
Polar Surface Area
97.36
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation