sodium; dihydrogen phosphate; 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridine-2,4-dione

Systemtic Name: sodium; dihydrogen phosphate; 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridine-2,4-dione Openeye Name: sodium; dihydrogen phosphate; 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione CAS Name: sodium; dihydrogen phosphate; 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione IUPAC Name: sodium; dihydrogen phosphate; 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione Traditional Name: sodium; dihydrogen phosphate; 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-quinone Formula: C17H22N4NaO10P MolecularWeight: 496.340911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O.OP(=O)(O)[O-].[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O.OP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C17H20N4O6.Na.H3O4P/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15;;1-5(2,3)4/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27);;(H3,1,2,3,4)/q;+1;/p-1/t11-,12+,14-;;/m0../s1