Molecule

ID:38716

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₀N₂O₈
Molecular Mass
390.4287
Exact Mass
390.20021593
Charge
0
InChI
InChI=1S/C17H30N2O8/c1-16(2,3)26-14(24)18-10(12(20)21)8-7-9-11(13(22)23)19-15(25)27-17(4,5)6/h10-11H,7-9H2,1-6H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)
InChIKey
UDAZYQMVLYCKHG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NC(=O)OC(C)(C)C)CCCC(C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
C(CCCC(C(=O)O)NC(=O)OC(C)(C)C)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.2609
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-1.834279
LogD (pH = 7.4)
-4.709644
Log P
1.9635223
Molar Refractivity
93.3854
Polarizability
37.10787
Polar Surface Area
151.26
Rotatable Bonds
12
Lipinski's Rule of Five
true
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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