1,3,5-Triazin-2(1H)-one,4-amino-1-b-D-arabinofuranosyl- (65886-71-7)

The Fazarabine with the CAS number 65886-71-7 is also called 1-b-D-Arabinofuranosyl-5-azacytosine. The systematic name is 4-amino-1-(β-D-arabinofuranosyl)-1,3,5-triazin-2(1H)-one. Its molecular formula is C₈H₁₂N₄O₅. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: -1.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.95; (8)ACD/KOC (pH 7.4): 1.96; (9)#H bond acceptors: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 85.19 Å²; (13)Index of Refraction: 1.823; (14)Molar Refractivity: 51.08 cm³; (15)Molar Volume: 117 cm³; (16)Polarizability: 20.25×10^-24cm³; (17)Surface Tension: 106.7 dyne/cm; (18)Enthalpy of Vaporization: 93.24 kJ/mol; (19)Vapour Pressure: 1.18×10^-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C(\N=C/N1[C@@H]2O[C@@H]([C@@H](O)[C@@H]2O)CO)N
(2)InChI: InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5+,6-/m1/s1
(3)InChIKey: NMUSYJAQQFHJEW-ARQDHWQXBX 

The toxicity data is as follows: