Molecule

ID:89466

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈N₂O₁₁
Molecular Mass
424.40032
Exact Mass
424.16930973
Charge
0
InChI
InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)11(23)7(3-19)28-16(9)29-14-10(18-6(2)22)15(26)27-8(4-20)12(14)24/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12+,13-,14-,15?,16+/m1/s1
InChIKey
FJGXDMQHNYEUHI-DKDAEFSNSA-N
Canonic Smiles
OC[C@H]1OC(O)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O)NC(=O)C
Isomeric Smiles
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-5.28
LogD (pH = 5.5)
-5.28
Log P
-5.28
Rotatable Bonds
6
H Donor
8
H Acceptors
11
Lipinski's Rule of Five
false
Acid pKa
11.50
Polar Surface Area
207.27
Polarizability
40.39
Molar Refractivity
90.54
LOG S
-0.48
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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