Molecule

ID:128072

General Information
Structure
MolImage
Molecular Formula
C₂₉H₄₉NO₅
Molecular Mass
491.70306
Exact Mass
491.36107367
Charge
0
InChI
InChI=1S/C29H49NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h12-13,15-16,22-27H,5-11,14,17-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
InChIKey
OQMAKWGYQLJJIA-FWEHEUNISA-N
Canonic Smiles
CCCCC/C=C/C/C=C/C[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Isomeric Smiles
O=C(O[C@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)C/C=C/C/C=C/CCCCC)[C@@H](NC=O)CC(C)C
Calculated Properties
JChem
Acid pKa
12.728423
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
7.3827343
LogD (pH = 7.4)
7.382733
Log P
7.3827343
Molar Refractivity
142.1775
Polarizability
55.665848
Polar Surface Area
81.7
Rotatable Bonds
21
Lipinski's Rule of Five
false
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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