bis[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl] phosphate; manganese(2+)

Systemtic Name: bis[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl] phosphate; manganese(2+) Openeye Name: manganous bis[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl] phosphate CAS Name: bis[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl] phosphate; manganese(2+) IUPAC Name: bis[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl] phosphate; manganese(2+) Traditional Name: manganous bis[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl] phosphate Formula: C32H40MnN4O16P2 MolecularWeight: 853.562771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)COP(=O)([O-])OCC2=C(C(=NC=C2CO)C)O)CO.CC1=NC=C(C(=C1O)COP(=O)([O-])OCC2=C(C(=NC=C2CO)C)O)CO.[Mn+2]

Isomeric SMILES

CC1=NC=C(C(=C1O)COP(=O)([O-])OCC2=C(C(=NC=C2CO)C)O)CO.CC1=NC=C(C(=C1O)COP(=O)([O-])OCC2=C(C(=NC=C2CO)C)O)CO.[Mn+2]

InChI

InChI=1S/2C16H21N2O8P.Mn/c2*1-9-15(21)13(11(5-19)3-17-9)7-25-27(23,24)26-8-14-12(6-20)4-18-10(2)16(14)22;/h2*3-4,19-22H,5-8H2,1-2H3,(H,23,24);/q;;+2/p-2