[(4-methanoyl-6-methyl-5-phosphonooxy-pyridin-3-yl)-phosphono-phosphonooxy-methyl]phosphonic acid

Systemtic Name: [(4-methanoyl-6-methyl-5-phosphonooxy-pyridin-3-yl)-phosphono-phosphonooxy-methyl]phosphonic acid Openeye Name: [(4-formyl-6-methyl-5-phosphonooxy-3-pyridyl)-phosphono-phosphonooxy-methyl]phosphonic acid CAS Name: [(4-formyl-6-methyl-5-phosphonooxy-3-pyridinyl)-phosphono-phosphonooxymethyl]phosphonic acid IUPAC Name: [(4-formyl-6-methyl-5-phosphonooxypyridin-3-yl)-phosphono-phosphonooxymethyl]phosphonic acid Traditional Name: [(4-formyl-6-methyl-5-phosphonooxy-3-pyridyl)-phosphono-phosphonooxy-methyl]phosphonic acid Formula: C8H13NO15P4 MolecularWeight: 487.081564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1OP(=O)(O)O)C=O)C(OP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1OP(=O)(O)O)C=O)C(OP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H13NO15P4/c1-4-7(23-27(17,18)19)5(3-10)6(2-9-4)8(25(11,12)13,26(14,15)16)24-28(20,21)22/h2-3H,1H3,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)