Molecule

ID:102446

General Information
Structure
Molecular Formula
C₃₂H₃₂O₇
Molecular Mass
528.59228
Exact Mass
528.21480336
Charge
0
InChI
InChI=1S/C32H32O7/c1-3-5-7-13-29(33)36-21-15-17-25-27(19-21)38-28-20-22(37-30(34)14-8-6-4-2)16-18-26(28)32(25)24-12-10-9-11-23(24)31(35)39-32/h9-12,15-20H,3-8,13-14H2,1-2H3
InChIKey
DHSNCRHSIFNRJY-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)OC(=O)CCCCC
Isomeric Smiles
CCCCCC(=O)Oc1ccc2c(Oc3c(ccc(OC(=O)CCCCC)c3)C32OC(=O)c2c3cccc2)c1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.770479
LogD (pH = 7.4)
7.770479
Log P
7.770479
Molar Refractivity
146.3829
Polarizability
56.775696
Polar Surface Area
88.13
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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