S-(3-Deazaadenosyl)Homocysteine
[CAS# 53199-57-8]

Identification

• Name: S-(3-Deazaadenosyl)Homocysteine
• Synonyms: (2S)-2-Amino-4-[[(2S,3S,4R)-5-(4-Aminoimidazo[4,5-C]Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid; (2S)-2-Amino-4-[[(2S,3S,4R)-5-(4-Amino-1-Imidazo[4,5-C]Pyridinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methylthio]Butanoic Acid; (2S)-2-Amino-4-[[(2S,3S,4R)-5-(4-Aminoimidazo[4,5-C]Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylthio]Butyric Acid
• Molecular Formula: C₁₅H₂₁N₅O₅S
• Molecular Weight: 383.42
• CAS Registry Number: 53199-57-8
• SMILES: [N]2(C1O[C@@H]([C@@H](O)[C@H]1O)CSCC[C@H](N)C(=O)O)C3=C(N=C2)C(=NC=C3)N
• InChI: 1S/C15H21N5O5S/c16-7(15(23)24)2-4-26-5-9-11(21)12(22)14(25-9)20-6-19-10-8(20)1-3-18-13(10)17/h1,3,6-7,9,11-12,14,21-22H,2,4-5,16H2,(H2,17,18)(H,23,24)/t7-,9+,11+,12+,14?/m0/s1
• InChIKey: KXHTUDZDRGHVIU-AUXCFHMMSA-N

Properties

• Density: 1.805g/cm³ (Cal.)
• Boiling point: 780.916°C at 760 mmHg (Cal.)
• Flash point: 426.083°C (Cal.)