Acetyl Coenzyme A (sodium salt)

Catalog Number: BC-0938

CAS Number: 102029-73-2

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Specifications

Product Information
Molecular Formula	C₂₃H₃₈N₇O₁₇P₃S•3Na
Molecular Weight	878.5
Purity	≥90%
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(NCCSC(C)=O)=O)=O)(O)=O)(O)=O) [C@H]1OP(O)(O)=O.[Na].[Na].[Na]
InChi	InChI=1S/C23H38N7O17P3S.3Na/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48 (36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30;;;/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)
InChi Key	LUCBJIAMLPFFGZ-PRPKGRFDSA-N
Alternate Name	S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate, sodium; S-acetate coenzyme A, trisodium salt; Acetyl CoA, trisodium salt; Acetyl-S- CoA, trisodium salt
Appearance	A crystalline solid
IUPAC Name	trisodium;S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate

Properties
Storage Conditions	-20ºC
Shipping Conditions	RT
Solubility	~10 mg/ml in PBS, pH 7.2

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