Molecule

ID:132537

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₂NaO₈
Molecular Mass
471.49585
Exact Mass
471.19948727
Charge
0
InChI
InChI=1S/C24H32O8.Na/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30;/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30);
InChIKey
QAAKKUWGHXAGFU-UHFFFAOYSA-N
Canonic Smiles
OC1C(O)C(Oc2ccc3c(c2)CCC2C3CCC3(C2CCC3O)C)OC(C1O)C(=O)O.[Na]
Isomeric Smiles
CC12CCC3c4ccc(cc4CCC3C1CCC2O)OC1C(C(C(C(O1)C(=O)O)O)O)O.[Na]
Calculated Properties
JChem
Acid pKa
3.3003535
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-0.384839
LogD (pH = 7.4)
-1.6283308
Log P
1.7977078
Molar Refractivity
111.9165
Polarizability
44.877213
Polar Surface Area
136.68
Rotatable Bonds
3
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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