Magnesium ionophore VI

Base Information

• Chemical Name: Magnesium ionophore VI
• CAS No.: 151058-38-7
• Molecular Formula: C63H96 N6 O6
• Molecular Weight: 1033.47294
• DSSTox Substance ID: DTXSID70395137
• Nikkaji Number: J1.249.449A
• Wikidata: Q82195001
• Mol file: 151058-38-7.mol

Synonyms:Magnesium ionophore VI;151058-38-7;N'-(1-adamantyl)-N-[5-[3,5-bis[5-[[3-[1-adamantyl(methyl)amino]-3-oxopropanoyl]amino]pentyl]phenyl]pentyl]-N'-methylpropanediamide;ETH 5506;SCHEMBL18417891;DTXSID70395137;ETH-5506;1,3,5-Tris[10-(1-adamantyl)-7,9-dioxo-6,10-diazaundecyl]benzene;J-008776;Magnesium ionophore VI, Selectophore(TM), function tested;(1,3,5-tris[10-(1-adamantyl)-7,9dioxo-6,10-diazaundecyl]benzene)

Chemical Property of Magnesium ionophore VI

Chemical Property:

• PKA: 9.31±0.70(Predicted)
• PSA: 158.70000
• Density: 1.19g/cm³
• LogP: 12.14640
• XLogP3: 11.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 27
• Exact Mass: 1032.73913480
• Heavy Atom Count: 75
• Complexity: 1680

Purity/Quality:

Magnesium ionophore VI Selectophore ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C(=O)CC(=O)NCCCCCC1=CC(=CC(=C1)CCCCCNC(=O)CC(=O)N(C)C23CC4CC(C2)CC(C4)C3)CCCCCNC(=O)CC(=O)N(C)C56CC7CC(C5)CC(C7)C6)C89CC1CC(C8)CC(C1)C9