Base information

Cat. No.
CAS No.1406-65-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C54H70MgN4O5++
Molecular Weight 879.462
Exact Mass 878.52
XLogP3 8.3665
Mr 270.664
PSA 119.64
Sequence -
Atom number 135
Bond number 139
Ring number 6
Rotor number 22
Residues number 0
Canonical smiles COC(=O)[C@@H]1C2=c3c(C1=O)c(/c(=C/C1=[N-]/C(=C\C4[N-]=C(/C=C/5\[N-]=C2[C@@H](CCC(=O)OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)[C@@H]5C)C(=C4C=C)C)/C(=C1CC)*)/[n-]3)C.[Mg+6]

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