CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 244.7 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
COMPUTED DESCRIPTORS
| Molecular Weight | 809.6 g/mol |
|---|---|
| XLogP3 | -5.6 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 20 |
| Exact Mass | 809.12577494 g/mol |
| Monoisotopic Mass | 809.12577494 g/mol |
| Topological Polar Surface Area | 389 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1380 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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
Acetyl-CoA is an acyl-CoA having acetyl as its S-acetyl component. It has a role as an effector, a coenzyme, an acyl donor and a fundamental metabolite. It is functionally related to an acetic acid and a coenzyme A. It is a conjugate acid of an acetyl-CoA(4-).