Molecule

ID:111624

General Information
Structure
MolImage
Molecular Formula
C₃₈H₆₆O₃
Molecular Mass
570.92884
Exact Mass
570.50119597
Charge
0
InChI
InChI=1S/C38H66O3/c1-6-7-8-15-19-33(39)20-16-13-11-9-10-12-14-17-21-36(40)41-29-37(4)26-18-27-38(5)34-24-22-31(30(2)3)28-32(34)23-25-35(37)38/h23,28,30,33-35,39H,6-22,24-27,29H2,1-5H3/t33?,34-,35-,37-,38+/m0/s1
InChIKey
ZYUVKCBQQNOYNZ-UFSMVFORSA-N
Canonic Smiles
CCCCCCC(CCCCCCCCCCC(=O)OC[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C)O
Isomeric Smiles
CCCCCCC(O)CCCCCCCCCCC(=O)OC[C@]1(C)CCC[C@@]2([C@H]3CCC(=CC3=CC[C@@H]12)C(C)C)C
Calculated Properties
JChem
Acid pKa
18.484173
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
10.903574
LogD (pH = 7.4)
10.903574
Log P
10.903574
Molar Refractivity
175.7346
Polarizability
69.481255
Polar Surface Area
46.53
Rotatable Bonds
20
Lipinski's Rule of Five
false
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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