N(2)-(Pyridyloxobutyl)Deoxyguanosine
[CAS# 120789-94-8]

Identification

• Name: N(2)-(Pyridyloxobutyl)Deoxyguanosine
• Synonyms: 9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-2-[[4-Oxo-4-(3-Pyridyl)Butyl]Amino]-3H-Purin-6-One; 9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-2-[[4-Oxo-4-(3-Pyridyl)Butyl]Amino]-3H-Purin-6-One; 9-[(2R,4S,5R)-4-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-2-[[4-Keto-4-(3-Pyridyl)Butyl]Amino]-3H-Purin-6-One
• Molecular Formula: C₁₉H₂₂N₆O₅
• Molecular Weight: 414.42
• CAS Registry Number: 120789-94-8
• SMILES: [C@H]1(O[C@@H]([C@H](C1)O)CO)[N]4C2=C(C(N=C(N2)NCCCC(C3=CC=CN=C3)=O)=O)N=C4
• InChI: 1S/C19H22N6O5/c26-9-14-13(28)7-15(30-14)25-10-22-16-17(25)23-19(24-18(16)29)21-6-2-4-12(27)11-3-1-5-20-8-11/h1,3,5,8,10,13-15,26,28H,2,4,6-7,9H2,(H2,21,23,24,29)/t13-,14+,15+/m0/s1
• InChIKey: SRUZGGNOZHZFMX-RRFJBIMHSA-N

Properties

• Density: 1.631g/cm³ (Cal.)
• Boiling point: 791.011°C at 760 mmHg (Cal.)
• Flash point: 432.188°C (Cal.)