Molecule

ID:130681

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O₅
Molecular Mass
352.46508
Exact Mass
352.22497412
Charge
0
InChI
InChI=1S/C20H32O5/c1-7-17(4)11-12(21)20(24)18(5)10-8-9-16(2,3)14(18)13(22)15(23)19(20,6)25-17/h7,13-15,22-24H,1,8-11H2,2-6H3/t13-,14-,15-,17-,18-,19+,20-/m0/s1
InChIKey
BEXJRVNGEWHUJR-FTFGDVISSA-N
Canonic Smiles
C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](O)[C@H]([C@@H]1[C@]2(C)CCCC1(C)C)O)O
Isomeric Smiles
C[C@]12CCCC([C@@H]1[C@@H]([C@@H]([C@@]1([C@@]2(C(=O)C[C@](O1)(C)C=C)O)C)O)O)(C)C
Calculated Properties
JChem
Acid pKa
11.624999
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
2.1458008
LogD (pH = 7.4)
2.1457753
Log P
2.1458013
Molar Refractivity
93.8011
Polarizability
37.782654
Polar Surface Area
86.99
Rotatable Bonds
1
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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