Molecule

ID:133886

General Information
Structure
MolImage
Molecular Formula
C₃₀H₆₂N₁₀O₆
Molecular Mass
658.87668
Exact Mass
658.48537975
Charge
0
InChI
InChI=1S/C30H62N10O6/c31-16-6-1-11-21(36)26(41)37-22(12-2-7-17-32)27(42)38-23(13-3-8-18-33)28(43)39-24(14-4-9-19-34)29(44)40-25(30(45)46)15-5-10-20-35/h21-25H,1-20,31-36H2,(H,37,41)(H,38,42)(H,39,43)(H,40,44)(H,45,46)
InChIKey
IXPHOHNWDLRFJH-UHFFFAOYSA-N
Canonic Smiles
NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)CCCCN)NC(=O)C(NC(=O)C(CCCCN)N)CCCCN
Isomeric Smiles
C(CCN)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)N
Calculated Properties
JChem
Acid pKa
3.5915086
H Acceptors
12
H Donor
11
LogD (pH = 5.5)
-20.230986
LogD (pH = 7.4)
-16.488892
Log P
-6.038073
Molar Refractivity
176.2479
Polarizability
70.53982
Polar Surface Area
309.82
Rotatable Bonds
29
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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