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CMP-Sialic acid sodium salt

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Description
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.
CAS Number
1007117-62-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
636.43
Molecular Formula
C20H30N4NaO16P
Notes
Research use only, not for human use.
Receptor
Endogenous Metabolite

Chemical Information

Cmp-nan sodium salt
CAS Number1007117-62-5
PubChem CID132285167
IUPAC Namesodium [(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Molecular FormulaC20H30N4NaO16P
Molecular Weight636.4
Topological Polar Surface Area324
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity1130
SMILES
CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O.[Na+]
InChI
InChI=1S/C20H31N4O16P.Na/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34;/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34);/q;+1/p-1/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+;/m0./s1
InChIKey
VFRHSOGUONIUOR-HLZBELLTSA-M
Chemical Structure
2D Structure
2D structure of Cmp-nan sodium salt
CAS: 1007117-62-5
CID: 132285167
Formula: C20H30N4NaO16P
MW: 636.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight636.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass636.12921216
Monoisotopic Mass636.12921216
Topological Polar Surface Area324 Ų
Heavy Atom Count42
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-112942A-01CMP-Sialic acid (sodium salt)
BUP02262-01CMP-Sialic acid sodium salt
sc-202549CMP-Sialic Acid, Monosodium Salt
C 408-10Cytidine- 5'- O- monophospho- N- acetylneuraminic acid (CMP-Neu5Ac / CMP-NAN / CMP-NANA / CMP-Sialic acid), sodium salt
MBS256749-01Cytidine-5'-O-monophospho-N-acetylneuraminic acid (CMP-Neu5Ac / CMP-NAN / CMP-NANA / CMP-Sialic acid), sodium salt
292860-01CMP-N-acetylneuraminic acid sodium salt
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