Molecule

ID:133752

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₁NaO₅
Molecular Mass
374.44691
Exact Mass
374.20691837
Charge
0
InChI
InChI=1S/C20H32O5.Na/c1-2-3-4-8-15(21)10-11-16-17(22)12-18-20(16)14(13-25-18)7-5-6-9-19(23)24;/h7,10-11,15-18,20-22H,2-6,8-9,12-13H2,1H3,(H,23,24);/q;+1/p-1/b11-10+,14-7-;/t15-,16-,17+,18-,20+;/m0./s1
InChIKey
OURCVRVJQMLUNA-QFDVFERUSA-M
Canonic Smiles
CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1/C(=C\CCCC(=O)[O-])/CO2)O.[Na+]
Isomeric Smiles
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1/C(=C\CCCC(=O)[O-])/CO2)O)O.[Na+]
Calculated Properties
JChem
Acid pKa
4.398562
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.1578689
LogD (pH = 7.4)
-0.59833145
Log P
2.2907794
Molar Refractivity
109.2534
Polarizability
37.96977
Polar Surface Area
89.82
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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