5,11-Methenyltetrahydrohomofolate monoformate salt
[CAS# 77921-44-9]

Identification

• Name: 5,11-Methenyltetrahydrohomofolate monoformate salt
• Synonyms: (2S)-2-[[[4-(3-Amino-1-Oxo-5,6,6A,7,8,10-Hexahydro-4H-Pyrimido[3,4-F]Pteridin-9-Yl)Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; Formic Acid; (2S)-2-[[4-(3-Amino-1-Keto-5,6,6A,7,8,10-Hexahydro-4H-Pyrimido[3,4-F]Pteridin-9-Yl)Benzoyl]Amino]Glutaric Acid; Formic Acid; (2S)-2-[[4-(3-Amino-1-Oxo-5,6,6A,7,8,10-Hexahydro-4H-Pyrimido[3,4-F]Pteridin-9-Yl)Phenyl]Carbonylamino]Pentanedioic Acid; Methanoic Acid
• Molecular Formula: C₂₂H₂₇N₇O₈
• Molecular Weight: 517.50
• CAS Registry Number: 77921-44-9
• SMILES: [C@H](NC(=O)C4=CC=C(N1CCC2N(C1)C3=C(NC2)NC(=NC3=O)N)C=C4)(CCC(O)=O)C(O)=O.O=CO
• InChI: 1S/C21H25N7O6.CH2O2/c22-21-25-17-16(19(32)26-21)28-10-27(8-7-13(28)9-23-17)12-3-1-11(2-4-12)18(31)24-14(20(33)34)5-6-15(29)30;2-1-3/h1-4,13-14H,5-10H2,(H,24,31)(H,29,30)(H,33,34)(H4,22,23,25,26,32);1H,(H,2,3)/t13?,14-;/m0./s1
• InChIKey: KGYYNOVPYCBONW-IJDFPQMLSA-N

Properties

• Boiling point: 874.6°C at 760 mmHg (Cal.)
• Flash point: 482.8°C (Cal.)