Molecule

ID:119577

General Information
Structure
Molecular Formula
C₂₃H₃₄O₅
Molecular Mass
390.51306
Exact Mass
390.24062419
Charge
0
InChI
InChI=1S/C23H34O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h4,16-19,25,27H,5-13H2,1-3H3/t16?,17?,18?,19?,21-,22-,23-/m0/s1
InChIKey
PIGIYBRGSJKHQI-OAXKZHKGSA-N
Canonic Smiles
OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC[C@]2(O)C(=O)COC(=O)C)C)C1)C
Isomeric Smiles
[C@]12([C@@](C(=O)COC(=O)C)(CCC1C1C([C@@]3(C(=CC1)CC(CC3)O)C)CC2)O)C
Calculated Properties
JChem
Acid pKa
12.616928
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.4578106
LogD (pH = 7.4)
2.457808
Log P
2.4578106
Molar Refractivity
106.0104
Polarizability
42.02759
Polar Surface Area
83.83
Rotatable Bonds
4
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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