Molecule

ID:131088

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O₈
Molecular Mass
386.39694
Exact Mass
386.1689158
Charge
0
InChI
InChI=1S/C17H26N2O8/c1-16(2,3)25-13(22)9-10(18-15(24)26-17(4,5)6)14(23)27-19-11(20)7-8-12(19)21/h10H,7-9H2,1-6H3,(H,18,24)/t10-/m0/s1
InChIKey
PIITZDSTZQZNQH-JTQLQIEISA-N
Canonic Smiles
O=C(OC(C)(C)C)C[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)C[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.058174
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.84101325
LogD (pH = 7.4)
0.8410124
Log P
0.84101325
Molar Refractivity
90.5342
Polarizability
36.27459
Polar Surface Area
128.31
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
References
Bioactivity
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