Name: CMP-Sialic acid sodium salt
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HIT ID:HIT218698814
Cas No:1007117-62-5
Common Name:CMP-Sialic acid sodium salt
alias:CMP-Neu5Ac sodium salt
IUPAC:sodium (2R,4S,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
IUPAC:sodium (2R,4S,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
InChIKey:VFRHSOGUONIUOR-HLZBELLTSA-M

Molecular Formula:C20H30N4NaO16P
Molecular Weight:636.436
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:[Na+].[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@H](O)[C@H](O)CO
SMILES:[Na+].[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@H](O)[C@H](O)CO

CMP-Sialic acid sodium salt (CMP-Neu5Ac sodium salt) is a variant inhibitor of UDP-GlcNAc 2-epimerase, the activated form of sialic acid, which is widely found in animals and is involved in the metabolism of organisms.

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