1',2',3',4',5',6'-Hexahydrohomofolic Acid
[CAS# 83704-88-5]

Identification

• Name: 1',2',3',4',5',6'-Hexahydrohomofolic Acid
• Synonyms: (2S)-2-[[[4-[2-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethylamino]Cyclohexyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[2-(2-Amino-4-Keto-1H-Pteridin-6-Yl)Ethylamino]Cyclohexanecarbonyl]Amino]Glutaric Acid; (2S)-2-[[4-[2-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethylamino]Cyclohexyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₇N₇O₆
• Molecular Weight: 461.48
• CAS Registry Number: 83704-88-5
• SMILES: [C@H](NC(=O)C3CCC(NCCC2=CN=C1NC(=NC(=O)C1=N2)N)CC3)(CCC(O)=O)C(O)=O
• InChI: 1S/C20H27N7O6/c21-20-26-16-15(18(31)27-20)24-12(9-23-16)7-8-22-11-3-1-10(2-4-11)17(30)25-13(19(32)33)5-6-14(28)29/h9-11,13,22H,1-8H2,(H,25,30)(H,28,29)(H,32,33)(H3,21,23,26,27,31)/t10?,11?,13-/m0/s1
• InChIKey: HSDLNPMYTYMYLO-XIVSLSHWSA-N

Properties

• Density: 1.664g/cm³ (Cal.)