Dicyanocobyrinic acid heptapropyl ester

CAS

93441-85-1

Catalog Number

ACM93441851

Category

Other Products

Molecular Weight

1285.4945

Molecular Formula

C₆₈H₁₀₁CoN₆O₁₄

MSDS COA Spec Sheet

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Specification

Synonyms

Nitrite ionophore II, Dicyanocobyrinic acid heptapropyl ester, 72593_FLUKA, 93441-85-1

IUPAC Name

cobalt(3+);propyl 3-[(1R,2S,3S,5Z,7S,8S,9Z,13S,14Z,17R,18R)-1,2,5,7,12,12,15,17-octamethyl-2,7,18-tris(2-oxo-2-propoxyethyl)-3,13,17-tris(3-oxo-3-propoxypropyl)-8,13,18,19-tetrahydro-3H-corrin-22-id-8-yl]propanoate;dicyanide

Canonical SMILES

CCCOC(=O)CCC1C2=CC3=NC(=C(C4=NC(C(C4(C)CCC(=O)OCCC)CC(=O)OCCC)C5(C(C(C(=N5)C(=C(C1(C)CC(=O)OCCC)[N-]2)C)CCC(=O)OCCC)(C)CC(=O)OCCC)C)C)C(C3(C)C)CCC(=O)OCCC.[C-]#N.[C-]#N.[Co+3]

InChI Key

WMGFZOGMMFWUJM-GRQAXCPQSA-N

Exact Mass

1284.67000

H-Bond Acceptor

H-Bond Donor