[(2S)-2-Amino-4-Methylsulfanylbutyl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
[CAS# 13091-93-5]

Identification

• Name: [(2S)-2-Amino-4-Methylsulfanylbutyl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
• Synonyms: [(2S)-2-Amino-4-Methylsulfanyl-Butyl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2S)-2-Amino-4-(Methylthio)Butyl] [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2S)-2-Amino-4-(Methylthio)Butyl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₁₅H₂₅N₆O₇PS
• Molecular Weight: 464.43
• CAS Registry Number: 13091-93-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](OC[C@@H](N)CCSC)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C15H25N6O7PS/c1-30-3-2-8(16)4-26-29(24,25)27-5-9-11(22)12(23)15(28-9)21-7-20-10-13(17)18-6-19-14(10)21/h6-9,11-12,15,22-23H,2-5,16H2,1H3,(H,24,25)(H2,17,18,19)/t8-,9+,11+,12+,15+/m0/s1
• InChIKey: QJJZMJWXTYLFEU-OPYVMVOTSA-N

Properties

• Density: 1.861g/cm³ (Cal.)
• Boiling point: 786.421°C at 760 mmHg (Cal.)
• Flash point: 429.412°C (Cal.)