Einecs 261-147-6
5-[(1-hydroxynaphthalene-2-carbonyl)-[[3-(octadecanoylamino)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: EINECS 261-147-6|5-[[carbonyl][[3-[amino]phenyl]methyl]amino]phthalicacid|5-{[(1-hydroxynaphthalen-2-yl)carbonyl][3-(octadecanoylamino)benzyl]amino}benzene-1,3-dicarboxylic acid|5-[1-Hydroxy-2-naphthalenylcarbonyl[3-(1-oxooctadecylamino)phenylmethyl]amino]isophthalic acid|5-(((1-Hydroxy-2-naphthyl)carbonyl)((3-((1-oxooctadecyl)amino)phenyl)methyl)amino)phthalic acid|1,3-Benzenedicarboxylicacid,5-[[(1-hydroxy-2-naphthalenyl)carbonyl][[3-[(1-oxooctadecyl)amino]phenyl]methyl]amino]-|5-[(1-Hydroxynaphthalene-2-carbonyl)({3-[(1-hydroxyoctadecylidene)amino]phenyl}methyl)amino]benzene-1,3-dicarboxylic acid|5-[(1-hydroxynaphthalene-2-carbonyl)-[[3-(octadecanoylamino)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid|5-[[(1-HYDROXY-2-NAPHTHYL)CARBONYL][[3-[(1-OXOOCTADECYL)AMINO]PHENYL]METHYL]AMINO]PHTHALIC ACID|5-[1-Hydroxy-N-({3-[(1-hydroxyoctadecylidene)amino]phenyl}methyl)naphthalene-2-carboxamido]benzene-1,3-dicarboxylic acid|5-{N-[(3-OCTADECANAMIDOPHENYL)METHYL]1-HYDROXYNAPHTHALENE-2-AMIDO}BENZENE-1,3-DICARBOXYLIC ACID
| Molecular Formula | C44H54N2O7 |
|---|---|
| Molecular Weight | 722.3931 g/mol |
| LogP | 10.99 |
| Topological Polar Surface Area | 144.24 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 23 |
| Exact Mass | 722.3931 |
| Heavy Atoms | 53 |
| Complexity | 1803.8 |
Chemical Identifiers
| CAS Number | 58162-63-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)CN(C2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)C3=C(C4=CC=CC=C4C=C3)O |
Product Overview
Einecs 261-147-6 (CAS 58162-63-3), with molecular formula C44H54N2O7 and molecular weight 722.3931 g/mol. IUPAC: 5-[(1-hydroxynaphthalene-2-carbonyl)-[[3-(octadecanoylamino)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid.
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