Molecule

ID:118939

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₀O₅
Molecular Mass
396.5607
Exact Mass
396.28757438
Charge
0
InChI
InChI=1S/C23H40O5/c1-16-6-7-17-20(4)15-26-19(2,3)27-18(20)8-9-21(17,5)23(16)11-10-22(14-25,28-23)12-13-24/h16-18,24-25H,6-15H2,1-5H3/t16-,17?,18+,20+,21+,22+,23-/m1/s1
InChIKey
VKCTYACKTCTDRG-TXCUCECXSA-N
Canonic Smiles
OCC[C@]1(CO)CC[C@@]2(O1)[C@H](C)CCC1[C@]2(C)CC[C@H]2[C@@]1(C)COC(O2)(C)C
Isomeric Smiles
[C@]12([C@]3(O[C@@](CC3)(CCO)CO)[C@@H](CCC1[C@]1([C@@H](OC(OC1)(C)C)CC2)C)C)C
Calculated Properties
JChem
Acid pKa
14.348499
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.5149634
LogD (pH = 7.4)
2.5149632
Log P
2.5149634
Molar Refractivity
108.2777
Polarizability
43.502953
Polar Surface Area
68.15
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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