6-(2-Carboxyethyl)-7-Oxo-8-(1-Deoxo-D-Ribose-1-Yl)-7,8-Dihydropteridine-2,4(1H,3H)-Dione
[CAS# 29161-67-9]

Identification

• Name: 6-(2-Carboxyethyl)-7-Oxo-8-(1-Deoxo-D-Ribose-1-Yl)-7,8-Dihydropteridine-2,4(1H,3H)-Dione
• Synonyms: 3-[2,4,7-Triketo-8-[(2S,3S,4R)-2,3,4,5-Tetrahydroxypentyl]-1H-Pteridin-6-Yl]Propionic Acid; 3-(7-Hydroxy-8-Ribityllumazine-6-Yl) Propionic Acid; 3-[8-((2S,3S,4R)-2,3,4,5-Tetrahydroxypentyl)-2,4,7-Trioxo-1,3,8-Trihydropteridin-6-Yl]Propanoic Acid
• Molecular Formula: C₁₄H₁₈N₄O₉
• Molecular Weight: 386.32
• CAS Registry Number: 29161-67-9
• SMILES: [C@H](CN1C2=C(N=C(CCC(=O)O)C1=O)C(=O)NC(N2)=O)([C@@H]([C@H](O)CO)O)O
• InChI: 1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24H,1-4H2,(H,22,23)(H2,16,17,25,27)/t6-,7+,10-/m0/s1
• InChIKey: PTYCEIBBGGLADD-PJKMHFRUSA-N

Properties

• Density: 1.919g/cm³ (Cal.)