disodium [2-azanylethyl-[(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methoxy-oxidanidyl-phosphoryl]oxy-amino] (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl phosphate

Systemtic Name: disodium [2-azanylethyl-[(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methoxy-oxidanidyl-phosphoryl]oxy-amino] (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl phosphate Openeye Name: disodium [2-aminoethyl-[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-oxido-phosphoryl]oxy-amino] (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl phosphate CAS Name: disodium [2-aminoethyl-[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy-oxidophosphoryl]oxyamino] (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl phosphate IUPAC Name: disodium [2-aminoethyl-[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-oxidophosphoryl]oxyamino] (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl phosphate Traditional Name: disodium [2-aminoethyl-[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-oxido-phosphoryl]oxy-amino] (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl phosphate Formula: C18H22N4Na2O12P2 MolecularWeight: 594.313942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)COP(=O)([O-])ON(CCN)OP(=O)([O-])OCC2=CN=C(C(=C2C=O)O)C.[Na+].[Na+]

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)COP(=O)([O-])ON(CCN)OP(=O)([O-])OCC2=CN=C(C(=C2C=O)O)C.[Na+].[Na+]

InChI

InChI=1S/C18H24N4O12P2.2Na/c1-11-17(25)15(7-23)13(5-20-11)9-31-35(27,28)33-22(4-3-19)34-36(29,30)32-10-14-6-21-12(2)18(26)16(14)8-24;;/h5-8,25-26H,3-4,9-10,19H2,1-2H3,(H,27,28)(H,29,30);;/q;2*+1/p-2