80394-72-5

Basic information

• Product Name: 3-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxa-2,7,9-triazabicyclo[4.3.0]nona-2,7,10-trien-5-one
• Synonyms: oxanosine;1-Oxaguanosine;5-Amino-3-β-D-ribofuranosylimidazo[4,5-d][1,3]oxazin-7(3H)-one;Imidazo[4,5-d][1,3]oxazin-7(3H)-one, 5-amino-3-β-D-ribofuranosyl-
• CAS NO: 80394-72-5
• Molecular Formula: C₁₀H₁₂N₄O₆
• Molecular Weight: 284.2255
• Mol File: 80394-72-5.mol
• Article Data: 2

Chemical Properties

• Melting Point: 199 °C(Solv: water (7732-18-5))
• Boiling Point: 758.1°Cat760mmHg
• Flash Point: 412.3°C
• Appearance: /
• Density: 2.23g/cm³
• Vapor Pressure: 3.75E-24mmHg at 25°C
• Refractive Index: 1.898
• PKA: 13.17±0.70(Predicted)
• CAS DataBase Reference: 3-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxa-2,7,9-triazabicyclo[4.3.0]nona-2,7,10-trien-5-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxa-2,7,9-triazabicyclo[4.3.0]nona-2,7,10-trien-5-one(80394-72-5)
• EPA Substance Registry System: 3-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxa-2,7,9-triazabicyclo[4.3.0]nona-2,7,10-trien-5-one(80394-72-5)

Safety Data

• Hazardous Substances Data: 80394-72-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H12N4O6/c11-10-13-7-4(9(18)20-10)12-2-14(7)8-6(17)5(16)3(1-15)19-8/h2-3,5-6,8,15-17H,1H2,(H2,11,13)/t3-,5?,6?,8-/m1/s1

Upstream product

• 5383-06-2 N¹-hydroxyinosine 
• 118-00-3 G 

Relevant articles and documents

Formation of 2-chloroinosine from guanosine by treatment of HNO2 in the presence of NaCl

We investigated the reaction of Guo with nitrous acid in the presence of NaCl. When 1 mM Guo was incubated with 100 mM NaNO2 and 2 M NaCl in sodium acetate buffer at pH 3.2 and 37°C, 2-chloroinosine (2-Cl-Ino) was produced in addition to oxanosine (Oxo) and xanthosine (Xao). The yield of 2-Cl-Ino was 0.033 mM at an incubation time of 2 h. Under the same reaction conditions, GMP and dGuo gave rise to the corresponding 2-chloro derivatives with comparable yields. All the 2-chloro derivatives were fairly stable (t1/2>360 h) at physiological pH and temperature. To elucidate the reaction mechanism of the chlorination, the diazoate derivative of Guo, a reaction intermediate of the Guo-HNO2 system, was employed as a starting compound. When the diazoate was incubated with 2 M NaCl in a neutral solution, 2-Cl-Ino was produced in addition to Oxo and Xao. These results suggest that the 2-chloro derivatives can be produced from foodstuffs in the human stomach and may have potential importance as a carcinogen causing gastric cancer.