CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Collision Cross Section | 220.7 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
COMPUTED DESCRIPTORS
Molecular Weight | 614.5 g/mol |
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XLogP3 | -6.7 |
Hydrogen Bond Donor Count | 10 |
Hydrogen Bond Acceptor Count | 16 |
Rotatable Bond Count | 11 |
Exact Mass | 614.14726791 g/mol |
Monoisotopic Mass | 614.14726791 g/mol |
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 |
PRODUCT INTRODUCTION
description
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-).