N(4)-Adenosyl-N(4)-Methyl-2,4-Diaminobutanoic Acid
[CAS# 111770-79-7]

Identification

• Name: N(4)-Adenosyl-N(4)-Methyl-2,4-Diaminobutanoic Acid
• Synonyms: (2S)-2-Amino-4-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Methyl-Amino]Butanoic Acid; (2S)-2-Amino-4-[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl-Methylamino]Butanoic Acid; (2S)-2-Amino-4-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Methyl-Amino]Butyric Acid
• Molecular Formula: C₁₅H₂₃N₇O₅
• Molecular Weight: 381.39
• CAS Registry Number: 111770-79-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CN(CC[C@H](N)C(=O)O)C)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
• InChIKey: JISVTSUBJCPLSV-TWBCTODHSA-N

Properties

• Density: 1.795g/cm³ (Cal.)
• Boiling point: 744.076°C at 760 mmHg (Cal.)
• Flash point: 403.803°C (Cal.)