Octadecylcarbamic Acid 3-Hydroxy-2-methoxypropyl Ester - CAS 80350-03-4
Catalog: |
BB058586 |
Product Name: |
Octadecylcarbamic Acid 3-Hydroxy-2-methoxypropyl Ester |
CAS: |
80350-03-4 |
Synonyms: |
(3-hydroxy-2-methoxypropyl) N-octadecylcarbamate; Octadecylcarbamic Acid 3-Hydroxy-2-methoxypropyl Ester; 3-Hydroxy-2-methoxypropyl octadecylcarbamate; Carbamic acid, octadecyl-, 3-hydroxy-2-methoxypropyl ester; 3-(N-octadecylcarbamoyloxy)-2-methoxy-1-propanol |
IUPAC Name: | (3-hydroxy-2-methoxypropyl) N-octadecylcarbamate |
Description: | Octadecylcarbamic Acid 3-Hydroxy-2-methoxypropyl Ester is an intermediate in the synthesis of a novel class of long-lasting PAF receptor antagonists. |
Molecular Weight: | 401.62 |
Molecular Formula: | C23H47NO4 |
Canonical SMILES: | CCCCCCCCCCCCCCCCCCNC(=O)OCC(CO)OC |
InChI: | InChI=1S/C23H47NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-23(26)28-21-22(20-25)27-2/h22,25H,3-21H2,1-2H3,(H,24,26) |
InChI Key: | YISWNDIWGWEDMI-UHFFFAOYSA-N |
Solubility: | Acetone, DCM, Methanol |
Appearance: | White Solid |
References: | Houlihan, W. J., et al. J. Lipid. Mediators., 3, 91 (1991). |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 401.35050898 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 401.35050898 |
Rotatable Bond Count: | 22 |
Topological Polar Surface Area: | 67.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8 |
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