N-Nitrosofolic acid
[CAS# 29291-35-8]

Identification

• Name: N-Nitrosofolic acid
• Synonyms: (2S)-2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Benzoyl]-Nitroso-Amino]Pentanedioic Acid; (2S)-2-[[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Phenyl]-Oxomethyl]-Nitrosoamino]Pentanedioic Acid; (2S)-2-[[4-[(2-Amino-4-Keto-1H-Pteridin-6-Yl)Methylamino]Benzoyl]-Nitroso-Amino]Glutaric Acid
• Molecular Formula: C₁₉H₁₈N₈O₇
• Molecular Weight: 470.40
• CAS Registry Number: 29291-35-8
• SMILES: [C@@H](N(C(C3=CC=C(NCC2=NC1=C(NC(=NC1=O)N)N=C2)C=C3)=O)N=O)(C(=O)O)CCC(=O)O
• InChI: 1S/C19H18N8O7/c20-19-24-15-14(16(30)25-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)17(31)27(26-34)12(18(32)33)5-6-13(28)29/h1-4,8,12,21H,5-7H2,(H,28,29)(H,32,33)(H3,20,22,24,25,30)/t12-/m0/s1
• InChIKey: QPQDSWYBXPBZPJ-LBPRGKRZSA-N

Properties

• Density: 1.746g/cm³ (Cal.)
• Boiling point: 820.358°C at 760 mmHg (Cal.)
• Flash point: 449.936°C (Cal.)