S-Tubercidinylhomocysteine
[CAS 57344-98-6]

Identification

• Name: S-Tubercidinylhomocysteine
• Synonyms: 2-Amino-4-[[5-(4-Aminopyrrolo[2,3-D]Pyrimidin-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid; 2-Amino-4-[[5-(4-Amino-7-Pyrrolo[2,3-D]Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methylthio]Butanoic Acid; 2-Amino-4-[[5-(4-Aminopyrrolo[2,3-D]Pyrimidin-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylthio]Butyric Acid
• Molecular Formula: C₁₅H₂₁N₅O₅S
• Molecular Weight: 383.42
• CAS Registry Number: 57344-98-6
• SMILES: C1=CC3=C([N]1C2OC(C(O)C2O)CSCCC(N)C(=O)O)N=CN=C3N
• InChI: 1S/C15H21N5O5S/c16-8(15(23)24)2-4-26-5-9-10(21)11(22)14(25-9)20-3-1-7-12(17)18-6-19-13(7)20/h1,3,6,8-11,14,21-22H,2,4-5,16H2,(H,23,24)(H2,17,18,19)
• InChIKey: VIRPSVXGKGPXDV-UHFFFAOYSA-N

Properties

• Density: 1.805g/cm³ (Cal.)
• Boiling point: 768.159°C at 760 mmHg (Cal.)
• Flash point: 418.367°C (Cal.)