52514-04-2
Product Name:
2-[(1-Oxo-9z-octadecenyl)amino]-ethanesulfonic acid
Formula:
C20H39NO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 389.6 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 18 |
| Exact Mass | 389.25997990 g/mol |
| Monoisotopic Mass | 389.25997990 g/mol |
| Topological Polar Surface Area | 91.8 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 455 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
N-oleoyltaurine is a fatty acid-taurine conjugate derived from oleic acid. It has a role as a human blood serum metabolite, an apoptosis inducer and an antineoplastic agent. It is functionally related to an oleic acid. It is a conjugate acid of a N-oleoyltaurine(1-).