Molecule

ID:108330

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₃Na₅O₁₀
Molecular Mass
503.25567
Exact Mass
503.0480652
Charge
0
InChI
InChI=1S/C14H23N3O10.5Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;/q;5*+1/p-5
InChIKey
LQPLDXQVILYOOL-UHFFFAOYSA-I
Canonic Smiles
[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
Isomeric Smiles
[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-]
Calculated Properties
JChem
Acid pKa
0.093708016
H Acceptors
13
H Donor
0
LogD (pH = 5.5)
-12.340177
LogD (pH = 7.4)
-17.896065
Log P
-6.3702765
Molar Refractivity
140.6348
Polarizability
33.565723
Polar Surface Area
210.37
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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