6H-Purin-6-one,9-(2-deoxy-2-fluoro-b-D-arabinofuranosyl)-1,9-dihydro- (98983-40-5)

The 9-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one with cas registry number of 98983-40-5, is also named 6H-Purin-6-one, 9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,9-dihydro- ; 9-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one .

Physical properties of 9-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one : (1)ACD/LogP: -1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6; (8)ACD/KOC (pH 7.4): 6; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 108.97Ų; (13)Index of Refraction: 1.81; (14)Molar Refractivity: 57.915 cm³; (15)Molar Volume: 134.286 cm³; (16)Polarizability: 22.959×10^-24cm³; (17)Surface Tension: 83.406 dyne/cm; (18)Enthalpy of Vaporization: 113.965 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C .

You can still convert the following datas into molecular structure: (1)SMILES:O=C3N\C=N/c2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F; (2)InChI:InChI=1/C10H11FN4O4/c11-5-7(17)4(1-16)19-10(5)15-3-14-6-8(15)12-2-13-9(6)18/h2-5,7,10,16-17H,1H2,(H,12,13,18)/t4-,5+,7-,10-/m1/s1; (3)InChIKey:NRVOTDBYJXFINS-GQTRHBFLBC; (4)Std. InChI:InChI=1S/C10H11FN4O4/c11-5-7(17)4(1-16)19-10(5)15-3-14-6-8(15)12-2-13-9(6)18/h2-5,7,10,16-17H,1H2,(H,12,13,18)/t4-,5+,7-,10-/m1/s1; (5)Std. InChIKey:NRVOTDBYJXFINS-GQTRHBFLSA-N .