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

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

Systemtic Name:bis[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl] hydrogen phosphate
Openeye Name:bis[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl] hydrogen phosphate
CAS Name:bis[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl] hydrogen phosphate
IUPAC Name:bis[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl] hydrogen phosphate
Traditional Name:bis[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl] hydrogen phosphate
Formula: C16H21N2O8P
MolecularWeight: 400.320301
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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


Isomeric SMILES

CC1=NC=C(C(=C1O)COP(=O)(O)OCC2=C(C(=NC=C2CO)C)O)CO


InChI

InChI=1S/C16H21N2O8P/c1-9-15(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/h3-4,19-22H,5-8H2,1-2H3,(H,23,24)


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