Molecule

ID:129151

General Information
Structure
Molecular Formula
C₃₀H₅₂O₄
Molecular Mass
476.73148
Exact Mass
476.38656014
Charge
0
InChI
InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30+/m0/s1
InChIKey
SHCBCKBYTHZQGZ-DLHMIPLTSA-N
Canonic Smiles
CC(=CCCC([C@H]1CC[C@@]2([C@@H]1[C@H](O)C[C@H]1[C@@]2(C)C[C@@H]([C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)O)C)(O)C)C
Isomeric Smiles
CC(=CCCC(C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]1[C@]2(C[C@@H]([C@@H]2[C@@]1(CC[C@@H](C2(C)C)O)C)O)C)O)C)O)C
Calculated Properties
JChem
Acid pKa
14.207891
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
4.223173
LogD (pH = 7.4)
4.223173
Log P
4.223173
Molar Refractivity
138.8284
Polarizability
55.30444
Polar Surface Area
80.92
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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