11-Oxahomofolic Acid
[CAS# 72254-43-4]

Identification

• Name: 11-Oxahomofolic Acid
• Synonyms: (2S)-2-[[[4-[2-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethoxy]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[2-(2-Amino-4-Keto-1H-Pteridin-6-Yl)Ethoxy]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[2-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethoxy]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₀N₆O₇
• Molecular Weight: 456.41
• CAS Registry Number: 72254-43-4
• SMILES: [C@H](C(=O)O)(NC(C1=CC=C(C=C1)OCCC3=NC2=C(NC(=NC2=O)N)N=C3)=O)CCC(=O)O
• InChI: 1S/C20H20N6O7/c21-20-25-16-15(18(30)26-20)23-11(9-22-16)7-8-33-12-3-1-10(2-4-12)17(29)24-13(19(31)32)5-6-14(27)28/h1-4,9,13H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,22,25,26,30)/t13-/m0/s1
• InChIKey: KIWDKYBQSARKOL-ZDUSSCGKSA-N

Properties

• Density: 1.635g/cm³ (Cal.)