Molecule

ID:132084

General Information
Structure
MolImage
Molecular Formula
C₃₄H₇₀O₉
Molecular Mass
622.9142
Exact Mass
622.50198382
Charge
0
InChI
InChI=1S/C34H70O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-36-21-23-38-25-27-40-29-31-42-33-34-43-32-30-41-28-26-39-24-22-37-20-18-35/h35H,2-34H2,1H3
InChIKey
WPXCYCTVMORDCF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
Isomeric Smiles
CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
Calculated Properties
JChem
Acid pKa
15.121156
H Acceptors
9
H Donor
1
LogD (pH = 5.5)
6.653479
LogD (pH = 7.4)
6.653479
Log P
6.653479
Molar Refractivity
174.8969
Polarizability
69.51887
Polar Surface Area
94.07
Rotatable Bonds
40
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