Disodium,4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-[Hydroxy(Oxido)Phosphoryl]Oxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethylsulfanyl]-4-Oxo-Butanoate
[CAS# 108347-97-3]

Identification

• Name: Disodium,4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-[Hydroxy(Oxido)Phosphoryl]Oxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethylsulfanyl]-4-Oxo-Butanoate
• Synonyms: Succinyl coenzyme A sodium salt; Succinyl coenzyme- A sodium salt; S1129_SIGMA
• Molecular Formula: C₂₅H₃₈N₇Na₂O₁₉P₃S
• Molecular Weight: 911.57
• CAS Registry Number: 108347-97-3
• SMILES: [Na+].[Na+].[O-]C(=O)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3OP([O-])(=O)O
• InChI: 1S/C25H40N7O19P3S.2Na/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32;;/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42);;/q;2*+1/p-2/t13-,18-,19-,20?,24-;;/m1../s1
• InChIKey: RYXRMWWOTZRVTP-CWQDMITCSA-L

Properties

• Refractive index: (Cal.)