5'-Isobutylthio-5'-Deoxyadenosine
[CAS# 35899-54-8]

Identification

• Name: 5'-Isobutylthio-5'-Deoxyadenosine
• Synonyms: (2R,3R,4S,5S)-2-(6-Aminopurin-9-Yl)-5-(Isobutylsulfanylmethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5S)-2-(6-Amino-9-Purinyl)-5-[(Isobutylthio)Methyl]Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5S)-2-(6-Aminopurin-9-Yl)-5-[(Isobutylthio)Methyl]Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₄H₂₁N₅O₃S
• Molecular Weight: 339.41
• CAS Registry Number: 35899-54-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CSCC(C)C)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C14H21N5O3S/c1-7(2)3-23-4-8-10(20)11(21)14(22-8)19-6-18-9-12(15)16-5-17-13(9)19/h5-8,10-11,14,20-21H,3-4H2,1-2H3,(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
• InChIKey: JDDUQGRUPLKDNT-IDTAVKCVSA-N

Properties

• Density: 1.632g/cm³ (Cal.)
• Boiling point: 631.196°C at 760 mmHg (Cal.)
• Flash point: 335.536°C (Cal.)