11-Deazahomofolic Acid
[CAS# 119770-54-6]

Identification

• Name: 11-Deazahomofolic Acid
• Synonyms: (2S)-2-[[[4-[3-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Propyl]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[3-(2-Amino-4-Keto-1H-Pteridin-6-Yl)Propyl]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[3-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Propyl]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₁H₂₂N₆O₆
• Molecular Weight: 454.44
• CAS Registry Number: 119770-54-6
• SMILES: [C@H](C(=O)O)(NC(C1=CC=C(C=C1)CCCC3=NC2=C(NC(=NC2=O)N)N=C3)=O)CCC(=O)O
• InChI: 1S/C21H22N6O6/c22-21-26-17-16(19(31)27-21)24-13(10-23-17)3-1-2-11-4-6-12(7-5-11)18(30)25-14(20(32)33)8-9-15(28)29/h4-7,10,14H,1-3,8-9H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,23,26,27,31)/t14-/m0/s1
• InChIKey: MJHZEXKOLNBMAE-AWEZNQCLSA-N

Properties

• Density: 1.574g/cm³ (Cal.)