CMP-Neu5Ac

Chemical Information
CMP-N-acetyl-beta-neuraminic acid is a nucleotide sugar used as a donor by glycosyltransferases for the synthesis of sugar chains. It has a role as a mouse metabolite. It is functionally related to a N-acetyl-beta-neuraminic acid. It is a conjugate acid of a CMP-N-acetyl-beta-neuraminate(2-).
| CAS Number | 3063-71-6 |
| PubChem CID | 448209 |
| IUPAC Name | (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
| Molecular Formula | C20H31N4O16P |
| Molecular Weight | 614.5 |
| XLogP | -6.7 |
| Topological Polar Surface Area | 321 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1120 |
| Property | Value |
|---|---|
| Molecular Weight | 614.5 |
| XLogP3 | -6.7 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 11 |
| Exact Mass | 614.14726791 |
| Monoisotopic Mass | 614.14726791 |
| Topological Polar Surface Area | 321 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1120 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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