Coenzyme A,S-[(R)-hydrogen methylpropanedioate]
[CAS# 73173-92-9]

Identification

• Name: Coenzyme A,S-[(R)-hydrogen methylpropanedioate]
• Molecular Formula: C₂₅H₄₀N₇O₁₉P₃S
• Molecular Weight: 867.61
• CAS Registry Number: 73173-92-9
• SMILES: OC(=O)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC3OC(n2cnc1c(N)ncnc12)C(O)C3OP(O)(O)=O
• InChI: 1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13?,16?,17?,18+,22?/m1/s1
• InChIKey: MZFOKIKEPGUZEN-YLYUOEEYSA-N

Properties

• Density: 1.921g/cm³ (Cal.)