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Coenzyme A sodium salt - ≥90%, high purity , CAS No.55672-92-9
an essential cofactor in enzymatic acetyl transfer reactions
Basic Description
Synonyms | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate |
Specifications & Purity | ≥95% |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Product Description | This compound is an essential cofactor in enzymatic acetyl transfer reactions. |
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Names and Identifiers
IUPAC Name | sodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate;hydrate |
INCHI | InChI=1S/C21H36N7O16P3S.Na.H2O/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);;1H2/q;+1;/p-1/t11-,14-,15-,16+,20-;;/m1../s1 |
InChi Key | SYTRWOCXZXQBPW-CLVRNSBASA-M |
Canonical SMILES | O[C@H]1[C@H](N2C=NC3=C2N=CN=C3N)O[C@H](COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCS)=O)=O)(O)=O)(O)=O)[C@H]1OP([O-])(O)=O.[Na+].O |
Isomeric SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])[C@H](C(=O)NCCC(=O)NCCS)O.O.[Na+] |
WGK Germany | 3 |
PubChem CID | 91872616 |
Molecular Weight | 807.5 |
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Chemical and Physical Properties
Solubility | Soluble in water (~ 50 mg/mL). |
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