CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Solubility | <0.1 mg/mL |
| Dissociation Constants | pKa1 = 3.71 (phenol); pKa2 = 10.66 (tertiary amine); pKa3 = -2.03 |
| Other Experimental Properties | Zwitterion at physiological pH /Alvimpoan dihydrate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 424.5 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 424.23620751 g/mol |
| Monoisotopic Mass | 424.23620751 g/mol |
| Topological Polar Surface Area | 89.9 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 606 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Alvimopan is a peptide.