Midoriamin

CAS

87211-44-7

Catalog Number

ACM87211447

Category

Other Products

Molecular Weight

953.948

Molecular Formula

C₄₅H₅₂CoN₉O₉S-

MSDS COA Spec Sheet

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Specification

Synonyms

Midoriamin, CID3070968, 87211-44-7, Cobaltate(2-), aqua(18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoato(5-)-N(sup 21),N(sup 22),N(sup 23),N(sup 24))(N-((2,4-diamino-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide)-, dihydrogen, ((OC-6-24)-(2S-trans))-

IUPAC Name

cobalt(2+); N-[(2,4-diaminopyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-sulfanylpent-2-en-2-yl]formamide; 3-[18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-20-(2-oxido-2-oxoethyl)-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron; hydrate

Canonical SMILES

[H+].[H+].CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.CC(=C(CCO)S)N(CC1=CN=C(N=C1N)N)C=O.O.[Co+2]

InChI Key

VYPYKJZULSGSCU-ROHPBIEZSA-K

Density

g/cm³

H-Bond Acceptor

H-Bond Donor