Methylfolate
[CAS# 70114-87-3]

Identification

• Name: Methylfolate
• Synonyms: (2S)-2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]-5-Methoxy-5-Oxo-Pentanoic Acid; (2S)-2-[[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]-5-Methoxy-5-Oxopentanoic Acid; (2S)-2-[[4-[(2-Amino-4-Keto-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]-5-Keto-5-Methoxy-Valeric Acid
• Molecular Formula: C₂₀H₂₁N₇O₆
• Molecular Weight: 455.43
• CAS Registry Number: 70114-87-3
• SMILES: [C@H](CCC(OC)=O)(C(O)=O)NC(C1=CC=C(C=C1)NCC3=NC2=C(NC(=NC2=O)N)N=C3)=O
• InChI: 1S/C20H21N7O6/c1-33-14(28)7-6-13(19(31)32)25-17(29)10-2-4-11(5-3-10)22-8-12-9-23-16-15(24-12)18(30)27-20(21)26-16/h2-5,9,13,22H,6-8H2,1H3,(H,25,29)(H,31,32)(H3,21,23,26,27,30)/t13-/m0/s1
• InChIKey: BNZPKFAGFVCCMO-ZDUSSCGKSA-N

Properties

• Density: 1.594g/cm³ (Cal.)