Coenzyme a disulfide,octalithium salt(9ci)

CAS

102778-59-6

Catalog Number

ACM102778596

Category

Other Products

Molecular Weight

821.36

Molecular Formula

C₄₂H₇₀N₁₄O₃₂P₆S₂.8Li

MSDS COA Spec Sheet

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Specification

Synonyms

COENZYME A HEXALITHIUM SALT OXIDIZED;COENZYME A, OXIDIZED LITHIUM SALT;COENZYME A TRILITHIUM SALT DIHYDRATE;COA-S-S-COA-LI6;COENZYME A, OXIDIZED LITHIUM;coenzyme A hexalithium salt oxidised;CoA-S-S-CoA

IUPAC Name

trilithium;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate;dihydrate

Canonical SMILES

[Li+].[Li+].[Li+].CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCS)O.O.O

InChI Key

VYMAJVUGLWJGOO-UHFFFAOYSA-K

Density

g/cm³

Exact Mass

821.16100

H-Bond Acceptor

H-Bond Donor

Safety Description

22-24/25