Molecule

ID:103591

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)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)
InChIKey
CDOJPCSDOXYJJF-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(O)C(C(C1OC1OC(CO)C(C(C1NC(=O)C)O)O)O)NC(=O)C
Isomeric Smiles
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(=O)C)C1O
Calculated Properties
JChem
Acid pKa
11.504834
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-5.2794456
LogD (pH = 7.4)
-5.279478
Log P
-5.279445
Molar Refractivity
90.5393
Polarizability
37.461098
Polar Surface Area
207.27
Rotatable Bonds
6
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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