Molecule

ID:108040

General Information
Structure
MolImage
Molecular Formula
C₃₄H₅₈O₈
Molecular Mass
594.81952
Exact Mass
594.41316882
Charge
0
InChI
InChI=1S/C34H58O8/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-33(21,4)26(23)14-16-34(24,25)5)42-32(41)31(40)30(39)29(38)28(37)27(36)18-35/h9,19-20,22-31,35-40H,6-8,10-18H2,1-5H3
InChIKey
AJXMVTIJJLCSLJ-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(C(C(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C)O)O)O)O)O
Isomeric Smiles
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(O)C(O)C(O)C(O)C(O)CO
Calculated Properties
JChem
Acid pKa
11.598059
H Acceptors
7
H Donor
6
LogD (pH = 5.5)
3.7372806
LogD (pH = 7.4)
3.7372534
Log P
3.7372808
Molar Refractivity
161.3578
Polarizability
64.70041
Polar Surface Area
147.68
Rotatable Bonds
13
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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