Molecule

ID:134162

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₄O₅
Molecular Mass
390.51306
Exact Mass
390.24062419
Charge
0
InChI
InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
InChIKey
AJLFOPYRIVGYMJ-INTXDZFKSA-N
Canonic Smiles
CC[C@@H](C(=O)O[C@H]1CCC=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C
Isomeric Smiles
CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]1C[C@H](CC(=O)O1)O
Calculated Properties
JChem
Acid pKa
14.914537
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.6151679
LogD (pH = 7.4)
3.6151679
Log P
3.6151679
Molar Refractivity
108.6338
Polarizability
42.577927
Polar Surface Area
72.83
Rotatable Bonds
7
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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