[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methoxy-oxidanyl-phosphoryl] hydrogen phosphate

Systemtic Name: [(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methoxy-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: [(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-hydroxy-phosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate CAS Name: [(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] hydrogen phosphate IUPAC Name: [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate Traditional Name: [(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-hydroxy-phosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] hydrogen phosphate Formula: C14H21NO14P2 MolecularWeight: 489.262362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OP(=O)(O)OC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OP(=O)(O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C14H21NO14P2/c1-6-10(18)8(3-16)7(2-15-6)5-26-30(22,23)29-31(24,25)28-14-13(21)12(20)11(19)9(4-17)27-14/h2-3,9,11-14,17-21H,4-5H2,1H3,(H,22,23)(H,24,25)/t9-,11-,12+,13-,14-/m1/s1