2-[4,5-bis(hydroxymethyl)-2-methyl-pyridin-1-ium-3-yl]oxy-2-oxidanyl-ethanoate; 2-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-1-ium-3-yl]methoxy]-2-oxidanyl-ethanoate

Systemtic Name: 2-[4,5-bis(hydroxymethyl)-2-methyl-pyridin-1-ium-3-yl]oxy-2-oxidanyl-ethanoate; 2-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-1-ium-3-yl]methoxy]-2-oxidanyl-ethanoate Openeye Name: 2-[4,5-bis(hydroxymethyl)-2-methyl-pyridin-1-ium-3-yl]oxy-2-hydroxy-acetate; 2-hydroxy-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridin-1-ium-3-yl]methoxy]acetate CAS Name: 2-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridin-1-iumyl]oxy]-2-hydroxyacetate; 2-hydroxy-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridin-1-iumyl]methoxy]acetate IUPAC Name: 2-[4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium-3-yl]oxy-2-hydroxyacetate; 2-hydroxy-2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-1-ium-3-yl]methoxy]acetate Traditional Name: 2-hydroxy-2-[(5-hydroxy-6-methyl-4-methylol-pyridin-1-ium-3-yl)methoxy]acetate; 2-hydroxy-2-(2-methyl-4,5-dimethylol-pyridin-1-ium-3-yl)oxy-acetate Formula: C20H26N2O12 MolecularWeight: 486.42664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=C1O)CO)COC(C(=O)[O-])O.CC1=[NH+]C=C(C(=C1OC(C(=O)[O-])O)CO)CO

Isomeric SMILES

CC1=[NH+]C=C(C(=C1O)CO)COC(C(=O)[O-])O.CC1=[NH+]C=C(C(=C1OC(C(=O)[O-])O)CO)CO

InChI

InChI=1S/2C10H13NO6/c1-5-8(13)7(3-12)6(2-11-5)4-17-10(16)9(14)15;1-5-8(17-10(16)9(14)15)7(4-13)6(3-12)2-11-5/h2*2,10,12-13,16H,3-4H2,1H3,(H,14,15)