703885

Octanoyl-2,4,6,8-¹³C₄ Coenzyme A, lithium salt

99 atom % ¹³C, 95% (CP)

• Synonym(s): Octanoyl-2,4,6,8-¹³C₄ coenzyme A, lithium salt, Capryloyl-2,4,6,8-¹³C₄ coenzyme A, lithium salt
• Empirical Formula (Hill Notation): C₂₅¹³C₄H₅₀N₇O₁₇P₃S · xLi⁺
• Molecular Weight: 897.70 (free acid basis)
• UNSPSC Code: 12352005
• PubChem Substance ID: 329762073

Properties

• isotopic purity: 99 atom % ¹³C
• Assay: 95% (CP)
• form: powder
• mass shift: M+4
• storage temp.: −20°C
• SMILES string: [Li+].[Li+].[Li+].CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)([O-])=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[13CH2]C[13CH2]C[13CH2]C[13CH3]
• InChI: 1S/C29H50N7O17P3S.3Li/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36;;;/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44);;;/q;3*+1/p-3/t18-,22-,23-,24+,28-;;;/m1.../s1/i1+1,5+1,7+1,9+1;;;
• InChI key: TUTBZLHSPWATJF-AENIDCCJSA-K

Description

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Other Notes

Molecular weight and empirical formula based on the free acid.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable