(R)-Coenzyme A-S-[1-Hydrogen 2-Hydroxypentanedioate]
[CAS# 137374-53-9]

Identification

• Name: (R)-Coenzyme A-S-[1-Hydrogen 2-Hydroxypentanedioate]
• Synonyms: 5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethylsulfanyl]-2-Hydroxy-5-Oxo-Pentanoic Acid; 5-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]Ethylthio]-2-Hydroxy-5-Oxopentanoic Acid; 5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethylthio]-2-Hydroxy-5-Keto-Valeric Acid
• Molecular Formula: C₂₆H₄₂N₇O₂₀P₃S
• Molecular Weight: 897.63
• CAS Registry Number: 137374-53-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](=O)(O)O)[C@H]1O)CO[P](O[P](OCC([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)C(=O)O)(C)C)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C26H42N7O20P3S/c1-26(2,20(38)23(39)29-6-5-15(35)28-7-8-57-16(36)4-3-13(34)25(40)41)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(37)24(51-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,34,37-38H,3-10H2,1-2H3,(H,28,35)(H,29,39)(H,40,41)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13?,14-,18-,19-,20+,24-/m1/s1
• InChIKey: LTHKYRZAVRCUOF-RMNRSTNRSA-N

Properties

• Desity: 1.927g/cm³ (Cal.)