Molecule

ID:128010

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₆O₅
Molecular Mass
356.49684
Exact Mass
356.25627425
Charge
0
InChI
InChI=1S/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-/m1/s1
InChIKey
XYPPDQHBNJURHU-IPOQXWOTSA-N
Canonic Smiles
OCC[C@]1(CO)CC[C@@]2(O1)[C@H](C)CC[C@@H]1[C@]2(C)CC[C@@H]([C@@]1(C)CO)O
Isomeric Smiles
C[C@@]1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H](C)[C@]12O[C@](CO)(CCO)CC1
Calculated Properties
JChem
Acid pKa
14.110689
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
0.8125387
LogD (pH = 7.4)
0.81253856
Log P
0.8125387
Molar Refractivity
96.0707
Polarizability
38.571198
Polar Surface Area
90.15
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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