Molecule

ID:131971

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈N₂O₁₁
Molecular Mass
424.40032
Exact Mass
424.16930973
Charge
0
InChI
InChI=1S/C16H28N2O11/c1-6(21)17-8(3-19)12(24)13(25)9(23)5-28-16-11(18-7(2)22)15(27)14(26)10(4-20)29-16/h3,8-16,20,23-27H,4-5H2,1-2H3,(H,17,21)(H,18,22)
InChIKey
INPSEHNBUMPUQB-UHFFFAOYSA-N
Canonic Smiles
O=CC(C(C(C(COC1OC(CO)C(C(C1NC(=O)C)O)O)O)O)O)NC(=O)C
Isomeric Smiles
CC(=O)NC1C(C(C(OC1OCC(C(C(C(C=O)NC(=O)C)O)O)O)CO)O)O
Calculated Properties
JChem
Acid pKa
11.428474
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-5.915267
LogD (pH = 7.4)
-5.915305
Log P
-5.9152665
Molar Refractivity
91.9615
Polarizability
37.558872
Polar Surface Area
215.11
Rotatable Bonds
10
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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