Molecule

ID:38885

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈N₂O₈Se₂
Molecular Mass
534.32212
Exact Mass
536.01760787
Charge
0
InChI
InChI=1S/C16H28N2O8Se2/c1-15(2,3)25-13(23)17-9(11(19)20)7-27-28-8-10(12(21)22)18-14(24)26-16(4,5)6/h9-10H,7-8H2,1-6H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-/m0/s1
InChIKey
UYSQAXKKQQGQNA-UWVGGRQHSA-N
Canonic Smiles
OC(=O)[C@@H](NC(=O)OC(C)(C)C)C[Se][Se]C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
[C@H](C[Se][Se]C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
2.4929883
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-4.9356885
LogD (pH = 7.4)
-6.912912
Log P
0.341
Molar Refractivity
115.2606
Polarizability
35.926556
Polar Surface Area
151.26
Rotatable Bonds
13
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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