Skip to Content
MilliporeSigma
All Photos(1)

Documents

703885

Sigma-Aldrich

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

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Empirical Formula (Hill Notation):
C2513C4H50N7O17P3S · xLi+
Molecular Weight:
897.70 (free acid basis)
UNSPSC Code:
12352005
PubChem Substance ID:
329762073

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

Related Categories

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.

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service