Molecule

ID:133509

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₂O₅
Molecular Mass
388.49718
Exact Mass
388.22497412
Charge
0
InChI
InChI=1S/C23H32O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h4,15-18,20,25H,5-12H2,1-3H3/t15-,16+,17-,18-,20+,21-,22-,23+/m0/s1
InChIKey
ZGLUWNAFPZDBGF-QJZOTDIVSA-N
Canonic Smiles
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@@H]3[C@]2(O3)C(=O)COC(=O)C)C)C1)C
Isomeric Smiles
CC(=O)OCC(=O)[C@]12[C@H](O1)C[C@@H]1[C@@]2(CC[C@H]2[C@H]1CC=C1[C@@]2(CC[C@@H](C1)O)C)C
Calculated Properties
JChem
Acid pKa
15.379701
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.5446107
LogD (pH = 7.4)
2.5446107
Log P
2.5446107
Molar Refractivity
103.8618
Polarizability
41.37725
Polar Surface Area
76.13
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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